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Experimental and Theoretical Study of SbPO4 under Compression

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Experimental and Theoretical Study of SbPO4 under Compression

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Pereira, ALDJ.; Santamaria-Pérez, D.; Vilaplana Cerda, RI.; Errandonea, D.; Popescu, C.; Da Silva, EL.; Sans-Tresserras, JÁ.... (2020). Experimental and Theoretical Study of SbPO4 under Compression. Inorganic Chemistry. 59(1):287-307. https://doi.org/10.1021/acs.inorgchem.9b02268

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/161854

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Title: Experimental and Theoretical Study of SbPO4 under Compression
Author: Pereira, André Luis de Jesus Santamaria-Pérez, David Vilaplana Cerda, Rosario Isabel Errandonea, Daniel Popescu, Catalin Da Silva, Estelina Lora Sans-Tresserras, Juan Ángel Rodríguez-Carvajal, Juan Muñoz, Alfonso Rodríguez-Hernández, Plácida Mujica, Andres Radescu, Silvana Elena Beltrán, Armando Otero-de-la-Roza, Alberto Nalin, Marcelo Mollar García, Miguel Alfonso Manjón, Francisco-Javier
UPV Unit: Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada
Universitat Politècnica de València. Instituto de Diseño para la Fabricación y Producción Automatizada - Institut de Disseny per a la Fabricació i Producció Automatitzada
Issued date:
Abstract:
[EN] SbPO4 is a complex monoclinic layered material characterized by a strong activity of the nonbonding lone electron pair (LEP) of Sb. The strong cation LEP leads to the formation of layers piled up along the a axis and ...[+]
Copyrigths: Reserva de todos los derechos
Source:
Inorganic Chemistry. (issn: 0020-1669 )
DOI: 10.1021/acs.inorgchem.9b02268
Publisher:
American Chemical Society
Publisher version: https://doi.org/10.1021/acs.inorgchem.9b02268
Project ID:
info:eu-repo/grantAgreement/EC/H2020/785789/EU/COmputational Modelling for EXtreme conditions/
...[+]
info:eu-repo/grantAgreement/EC/H2020/785789/EU/COmputational Modelling for EXtreme conditions/
info:eu-repo/grantAgreement/CNPq//201050%2F2012-9/
info:eu-repo/grantAgreement/FAPESP//2013%2F07793-6/
info:eu-repo/grantAgreement/AEI//RED2018-102612-T/ES/MALTA‐CONSOLIDER TEAM/
info:eu-repo/grantAgreement/MINECO//MAT2016-75586-C4-1-P/ES/OXIDOS METALICOS BAJO CONDICIONES EXTREMAS: SINTESIS Y CARACTERIZACION DE MATERIALES EN VOLUMEN, NANOCRISTALES Y CAPAS DELGADAS CON APLICACIONES TECNOLOGICAS/
info:eu-repo/grantAgreement/MINECO//MAT2016-75586-C4-2-P/ES/COMPUESTOS ABO3 Y A2X3 EN CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA/
info:eu-repo/grantAgreement/MINECO//MAT2016-75586-C4-3-P/ES/ESTUDIO AB INITIO DE COMPUESTOS ABX4, ABO3, A2X3, PEROVSKITAS Y NANOMATERIALES BAJO CONDICIONES EXTREMAS/
info:eu-repo/grantAgreement/MINECO//MAT2015-71070-REDC/ES/MATERIA A ALTA PRESION. MALTA-CONSOLIDER TEAM/
info:eu-repo/grantAgreement/GVA//PROMETEO%2F2018%2F123/ES/Materiales avanzados para el uso eficiente de la energia (EFIMAT)/
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-094417-B-I00/ES/APROXIMACIONES RACIONALES PARA EL DISEÑO DE NUEVOS MATERIALES MEDIANTE LA COMBINACION DE TEORIA Y EXPERIMENTO/
info:eu-repo/grantAgreement/CNPq//159754%2F2018-6/
info:eu-repo/grantAgreement/CNPq//307199%2F2018-5/
info:eu-repo/grantAgreement/CNPq//422250%2F20163/
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-097520-A-I00/ES/ESTABILIDAD ESTRUCTURAL Y REACTIVIDAD DE DIOXIDO DE CARBONO Y CARBONATOS A ALTAS PRESIONES Y ALTAS TEMPERATURAS/
info:eu-repo/grantAgreement/MINECO//RYC-RYC-2014-15643/ES/RYC-RYC-2014-15643/
info:eu-repo/grantAgreement/MINECO//RYC-2016-20301/
info:eu-repo/grantAgreement/MINECO//RYC-2015-17482/ES/RYC-2015-17482/
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/FIS2017-83295-P/ES/EN BUSCA DE LA REACCION DEL HELIO EN CONDICIONES EXTREMAS/
[-]
Description: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.inorgchem.9b02268.
Thanks:
The authors acknowledge financial support from the Brazilian Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq - 159754/2018-6, 307199/2018-5, 422250/20163, 201050/2012-9), FAPESP (2013/07793-6), Spanish ...[+]
Type: Artículo

References

Falcão Filho, E. L., Bosco, C. A. C., Maciel, G. S., de Araújo, C. B., Acioli, L. H., Nalin, M., & Messaddeq, Y. (2003). Ultrafast nonlinearity of antimony polyphosphate glasses. Applied Physics Letters, 83(7), 1292-1294. doi:10.1063/1.1601679

Nalin, M., Poulain, M., Poulain, M., Ribeiro, S. J. ., & Messaddeq, Y. (2001). Antimony oxide based glasses. Journal of Non-Crystalline Solids, 284(1-3), 110-116. doi:10.1016/s0022-3093(01)00388-x

Nalin, M., Messaddeq, Y., Ribeiro, S. J. L., Poulain, M., Briois, V., Brunklaus, G., … Eckert, H. (2004). Structural organization and thermal properties of the Sb2O3–SbPO4glass system. J. Mater. Chem., 14(23), 3398-3405. doi:10.1039/b406075j [+]
Falcão Filho, E. L., Bosco, C. A. C., Maciel, G. S., de Araújo, C. B., Acioli, L. H., Nalin, M., & Messaddeq, Y. (2003). Ultrafast nonlinearity of antimony polyphosphate glasses. Applied Physics Letters, 83(7), 1292-1294. doi:10.1063/1.1601679

Nalin, M., Poulain, M., Poulain, M., Ribeiro, S. J. ., & Messaddeq, Y. (2001). Antimony oxide based glasses. Journal of Non-Crystalline Solids, 284(1-3), 110-116. doi:10.1016/s0022-3093(01)00388-x

Nalin, M., Messaddeq, Y., Ribeiro, S. J. L., Poulain, M., Briois, V., Brunklaus, G., … Eckert, H. (2004). Structural organization and thermal properties of the Sb2O3–SbPO4glass system. J. Mater. Chem., 14(23), 3398-3405. doi:10.1039/b406075j

Montesso, M., Manzani, D., Donoso, J. P., Magon, C. J., Silva, I. D. A., Chiesa, M., … Nalin, M. (2018). Synthesis and structural characterization of a new SbPO4-GeO2 glass system. Journal of Non-Crystalline Solids, 500, 133-140. doi:10.1016/j.jnoncrysol.2018.07.005

Wang, Y., li, L., & Li, G. (2012). One-step synthesis of SbPO4 hollow spheres by a self-sacrificed template method. RSC Advances, 2(33), 12999. doi:10.1039/c2ra21434b

Chen, S., Di, Y., Li, T., Li, F., & Cao, W. (2018). Impacts of ionic liquid capping on the morphology and photocatalytic performance of SbPO4 crystals. CrystEngComm, 20(30), 4305-4312. doi:10.1039/c8ce00790j

Saadaoui, H., Boukhari, A., Flandrois, S., & Aride, J. (1994). Intercalation of Hydrazine and Amines in Antimony Phosphate. Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 244(1), 173-178. doi:10.1080/10587259408050100

Biswal, J. B., Garje, S. S., & Revaprasadu, N. (2014). A convenient synthesis of antimony sulfide and antimony phosphate nanorods using single source dithiolatoantimony(III) dialkyldithiophosphate precursors. Polyhedron, 80, 216-222. doi:10.1016/j.poly.2014.04.017

Ou, M., Ling, Y., Ma, L., Liu, Z., Luo, D., & Xu, L. (2018). Synthesis and Li-storage property of flower-like SbPO4 microspheres. Materials Letters, 224, 100-104. doi:10.1016/j.matlet.2018.04.059

Jones, P. G., Sheldrick, G. M., & Schwarzmann, E. (1980). Antimony(III) arsenic(V) oxide. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, 36(8), 1923-1925. doi:10.1107/s0567740880007492

Kinberger, B., Danielsen, J., Haaland, A., Jerslev, B., Schäffer, C. E., Sunde, E., & Sørensen, N. A. (1970). The Crystal Structure of SbPO4. Acta Chemica Scandinavica, 24, 320-328. doi:10.3891/acta.chem.scand.24-0320

Achary, S. N., Errandonea, D., Muñoz, A., Rodríguez-Hernández, P., Manjón, F. J., Krishna, P. S. R., … Tyagi, A. K. (2013). Experimental and theoretical investigations on the polymorphism and metastability of BiPO4. Dalton Transactions, 42(42), 14999. doi:10.1039/c3dt51823j

Alonzo, G., Bertazzi, N., Galli, P., Marci, G., Massucci, M. A., Palmisano, L., … Saiano, F. (1998). In search of layered antimony(III) materials: synthesis and characterization of oxo-antimony(III) catecholate and further studies on antimony(III) phosphate. Materials Research Bulletin, 33(8), 1233-1240. doi:10.1016/s0025-5408(98)00095-6

Alonzo, G., Bertazzi, N., Galli, P., Massucci, M. A., Patrono, P., & Saiano, F. (1998). On the synthesis and characterization of layered antimony(III) phosphate and its interaction with moist ammonia and amines. Materials Research Bulletin, 33(8), 1221-1231. doi:10.1016/s0025-5408(98)00094-4

Brockner, W., & Hoyer, L. P. (2002). Synthesis and vibrational spectrum of antimony phosphate, SbPO4. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 58(9), 1911-1914. doi:10.1016/s1386-1425(01)00639-4

Sudarsan, V., Muthe, K. ., Vyas, J. ., & Kulshreshtha, S. . (2002). PO43− tetrahedra in SbPO4 and SbOPO4: a 31P NMR and XPS study. Journal of Alloys and Compounds, 336(1-2), 119-123. doi:10.1016/s0925-8388(01)01888-6

Errandonea, D., Gomis, O., Santamaría-Perez, D., García-Domene, B., Muñoz, A., Rodríguez-Hernández, P., … Popescu, C. (2015). Exploring the high-pressure behavior of the three known polymorphs of BiPO4: Discovery of a new polymorph. Journal of Applied Physics, 117(10), 105902. doi:10.1063/1.4914407

Lacomba-Perales, R., Errandonea, D., Meng, Y., & Bettinelli, M. (2010). High-pressure stability and compressibility ofAPO4(A=La, Nd, Eu, Gd, Er, and Y) orthophosphates: An x-ray diffraction study using synchrotron radiation. Physical Review B, 81(6). doi:10.1103/physrevb.81.064113

Errandonea, D., Gomis, O., Rodríguez-Hernández, P., Muñoz, A., Ruiz-Fuertes, J., Gupta, M., … Bettinelli, M. (2018). High-pressure structural and vibrational properties of monazite-type BiPO4, LaPO4, CePO4, and PrPO4. Journal of Physics: Condensed Matter, 30(6), 065401. doi:10.1088/1361-648x/aaa20d

López-Solano, J., Rodríguez-Hernández, P., Muñoz, A., Gomis, O., Santamaría-Perez, D., Errandonea, D., … Raptis, C. (2010). Theoretical and experimental study of the structural stability ofTbPO4at high pressures. Physical Review B, 81(14). doi:10.1103/physrevb.81.144126

Musselman, M. A., Wilkinson, T. M., Haberl, B., & Packard, C. E. (2018). In situ Raman spectroscopy of pressure‐induced phase transformations in polycrystalline Tb PO 4 , Dy PO 4 , and Gd x Dy (1− x ) PO 4. Journal of the American Ceramic Society, 101(6), 2562-2570. doi:10.1111/jace.15374

Muñoz, A., & Rodríguez-Hernández, P. (2018). High-Pressure Elastic, Vibrational and Structural Study of Monazite-Type GdPO4 from Ab Initio Simulations. Crystals, 8(5), 209. doi:10.3390/cryst8050209

Ghosh, P. S., Ali, K., & Arya, A. (2018). A computational study of high pressure polymorphic transformations in monazite-type LaPO4. Physical Chemistry Chemical Physics, 20(11), 7621-7634. doi:10.1039/c7cp05587k

Gomis, O., Lavina, B., Rodríguez-Hernández, P., Muñoz, A., Errandonea, R., Errandonea, D., & Bettinelli, M. (2017). High-pressure structural, elastic, and thermodynamic properties of zircon-type HoPO4and TmPO4. Journal of Physics: Condensed Matter, 29(9), 095401. doi:10.1088/1361-648x/aa516a

Ruiz-Fuertes, J., Hirsch, A., Friedrich, A., Winkler, B., Bayarjargal, L., Morgenroth, W., … Milman, V. (2016). High-pressure phase of LaPO4 studied by x-ray diffraction and second harmonic generation. Physical Review B, 94(13). doi:10.1103/physrevb.94.134109

Stavrou, E., Tatsi, A., Raptis, C., Efthimiopoulos, I., Syassen, K., Muñoz, A., … Hanfland, M. (2012). Effects of pressure on the structure and lattice dynamics of TmPO4: Experiments and calculations. Physical Review B, 85(2). doi:10.1103/physrevb.85.024117

Errandonea, D., & Garg, A. B. (2018). Recent progress on the characterization of the high-pressure behaviour of AVO4 orthovanadates. Progress in Materials Science, 97, 123-169. doi:10.1016/j.pmatsci.2018.04.004

Bandiello, E., Errandonea, D., Pellicer-Porres, J., Garg, A. B., Rodriguez-Hernandez, P., Muñoz, A., … Popescu, C. (2018). Effect of High Pressure on the Crystal Structure and Vibrational Properties of Olivine-Type LiNiPO4. Inorganic Chemistry, 57(16), 10265-10276. doi:10.1021/acs.inorgchem.8b01495

Achary, S. N., Bevara, S., & Tyagi, A. K. (2017). Recent progress on synthesis and structural aspects of rare-earth phosphates. Coordination Chemistry Reviews, 340, 266-297. doi:10.1016/j.ccr.2017.03.006

Bykov, M., Bykova, E., Hanfland, M., Liermann, H.-P., Kremer, R. K., Glaum, R., … van Smaalen, S. (2016). High-Pressure Phase Transformations in TiPO4: A Route to Pentacoordinated Phosphorus. Angewandte Chemie International Edition, 55(48), 15053-15057. doi:10.1002/anie.201608530

López-Moreno, S., & Errandonea, D. (2012). Ab initioprediction of pressure-induced structural phase transitions of CrVO4-type orthophosphates. Physical Review B, 86(10). doi:10.1103/physrevb.86.104112

Errandonea, D., & Manjón, F. J. (2008). Pressure effects on the structural and electronic properties of ABX4 scintillating crystals. Progress in Materials Science, 53(4), 711-773. doi:10.1016/j.pmatsci.2008.02.001

Merrill, L., & Bassett, W. A. (1974). Miniature diamond anvil pressure cell for single crystal x‐ray diffraction studies. Review of Scientific Instruments, 45(2), 290-294. doi:10.1063/1.1686607

Fauth, F., Peral, I., Popescu, C., & Knapp, M. (2013). The new Material Science Powder Diffraction beamline at ALBA Synchrotron. Powder Diffraction, 28(S2), S360-S370. doi:10.1017/s0885715613000900

Mao, H. K., Xu, J., & Bell, P. M. (1986). Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions. Journal of Geophysical Research, 91(B5), 4673. doi:10.1029/jb091ib05p04673

Dewaele, A., Loubeyre, P., & Mezouar, M. (2004). Equations of state of six metals above94GPa. Physical Review B, 70(9). doi:10.1103/physrevb.70.094112

Prescher, C., & Prakapenka, V. B. (2015). DIOPTAS: a program for reduction of two-dimensional X-ray diffraction data and data exploration. High Pressure Research, 35(3), 223-230. doi:10.1080/08957959.2015.1059835

Rodríguez-Carvajal, J. (1993). Recent advances in magnetic structure determination by neutron powder diffraction. Physica B: Condensed Matter, 192(1-2), 55-69. doi:10.1016/0921-4526(93)90108-i

Errandonea, D., Muñoz, A., & Gonzalez-Platas, J. (2014). Comment on «High-pressure x-ray diffraction study of YBO3/Eu3+, GdBO3, and EuBO3: Pressure-induced amorphization in GdBO3» [J. Appl. Phys. 115, 043507 (2014)]. Journal of Applied Physics, 115(21), 216101. doi:10.1063/1.4881057

Hohenberg, P., & Kohn, W. (1964). Inhomogeneous Electron Gas. Physical Review, 136(3B), B864-B871. doi:10.1103/physrev.136.b864

Kresse, G., & Hafner, J. (1993). Ab initiomolecular dynamics for liquid metals. Physical Review B, 47(1), 558-561. doi:10.1103/physrevb.47.558

Blöchl, P. E. (1994). Projector augmented-wave method. Physical Review B, 50(24), 17953-17979. doi:10.1103/physrevb.50.17953

Perdew, J. P., Ruzsinszky, A., Csonka, G. I., Vydrov, O. A., Scuseria, G. E., Constantin, L. A., … Burke, K. (2008). Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces. Physical Review Letters, 100(13). doi:10.1103/physrevlett.100.136406

Monkhorst, H. J., & Pack, J. D. (1976). Special points for Brillouin-zone integrations. Physical Review B, 13(12), 5188-5192. doi:10.1103/physrevb.13.5188

Parlinski, K. Computer Code PHONON; http://wolf.ifj.edu.pl/phonon.

Nielsen, O. H., & Martin, R. M. (1985). Quantum-mechanical theory of stress and force. Physical Review B, 32(6), 3780-3791. doi:10.1103/physrevb.32.3780

Le Page, Y., & Saxe, P. (2002). Symmetry-general least-squares extraction of elastic data for strained materials fromab initiocalculations of stress. Physical Review B, 65(10). doi:10.1103/physrevb.65.104104

Otero-de-la-Roza, A., Johnson, E. R., & Luaña, V. (2014). Critic2: A program for real-space analysis of quantum chemical interactions in solids. Computer Physics Communications, 185(3), 1007-1018. doi:10.1016/j.cpc.2013.10.026

Dewhurst, K.; Sharma, S.; Nordström, L.; Cricchio, F.; Grånäs, O.; Gross, H.; Ambrosch-Draxl, C.; Persson, C.; Bultmark, F.; Brouder, C., The Elk FP-LAPW code; http://elk.sourceforge.net/ (accessed Oct 31, 2019).

Manjón, F. J., Vilaplana, R., Gomis, O., Pérez-González, E., Santamaría-Pérez, D., Marín-Borrás, V., … Muñoz-Sanjosé, V. (2013). High-pressure studies of topological insulators Bi2Se3, Bi2Te3, and Sb2Te3. physica status solidi (b), 250(4), 669-676. doi:10.1002/pssb.201200672

Pereira, A. L. J., Errandonea, D., Beltrán, A., Gracia, L., Gomis, O., Sans, J. A., … Popescu, C. (2013). Structural study of α-Bi2O3under pressure. Journal of Physics: Condensed Matter, 25(47), 475402. doi:10.1088/0953-8984/25/47/475402

Pereira, A. L. J., Gomis, O., Sans, J. A., Pellicer-Porres, J., Manjón, F. J., Beltran, A., … Muñoz, A. (2014). Pressure effects on the vibrational properties ofα-Bi2O3: an experimental and theoretical study. Journal of Physics: Condensed Matter, 26(22), 225401. doi:10.1088/0953-8984/26/22/225401

Pereira, A. L. J., Sans, J. A., Vilaplana, R., Gomis, O., Manjón, F. J., Rodríguez-Hernández, P., … Beltrán, A. (2014). Isostructural Second-Order Phase Transition of β-Bi2O3 at High Pressures: An Experimental and Theoretical Study. The Journal of Physical Chemistry C, 118(40), 23189-23201. doi:10.1021/jp507826j

Ibáñez, J., Sans, J. A., Popescu, C., López-Vidrier, J., Elvira-Betanzos, J. J., Cuenca-Gotor, V. P., … Muñoz, A. (2016). Structural, Vibrational, and Electronic Study of Sb2S3 at High Pressure. The Journal of Physical Chemistry C, 120(19), 10547-10558. doi:10.1021/acs.jpcc.6b01276

Kroumova, E., Aroyo, M. I., Perez-Mato, J. M., Kirov, A., Capillas, C., Ivantchev, S., & Wondratschek, H. (2003). Bilbao Crystallographic Server : Useful Databases and Tools for Phase-Transition Studies. Phase Transitions, 76(1-2), 155-170. doi:10.1080/0141159031000076110

Canepa, P., Hanson, R. M., Ugliengo, P., & Alfredsson, M. (2010). J-ICE: a newJmolinterface for handling and visualizing crystallographic and electronic properties. Journal of Applied Crystallography, 44(1), 225-229. doi:10.1107/s0021889810049411

Sans, J. A., Manjón, F. J., Pereira, A. L. J., Vilaplana, R., Gomis, O., Segura, A., … Ruleova, P. (2016). Structural, vibrational, and electrical study of compressed BiTeBr. Physical Review B, 93(2). doi:10.1103/physrevb.93.024110

Pereira, A. L. J., Santamaría-Pérez, D., Ruiz-Fuertes, J., Manjón, F. J., Cuenca-Gotor, V. P., Vilaplana, R., … Sans, J. A. (2018). Experimental and Theoretical Study of Bi2O2Se Under Compression. The Journal of Physical Chemistry C, 122(16), 8853-8867. doi:10.1021/acs.jpcc.8b02194

Bai, Y., Srikanth, N., Chua, C. K., & Zhou, K. (2017). Density Functional Theory Study of Mn+1AXn Phases: A Review. Critical Reviews in Solid State and Materials Sciences, 44(1), 56-107. doi:10.1080/10408436.2017.1370577

An ab initio study on compressibility of Al-containing MAX-phase carbides. (2013). Journal of Applied Physics, 114(17), 173709. doi:10.1063/1.4829282

Bai, Y., Qi, X., He, X., Sun, D., Kong, F., Zheng, Y., … Duff, A. I. (2018). Phase stability and weak metallic bonding within ternary‐layered borides CrAlB, Cr 2 AlB 2 , Cr 3 AlB 4 , and Cr 4 AlB 6. Journal of the American Ceramic Society, 102(6), 3715-3727. doi:10.1111/jace.16206

Birch, F. (1978). Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300°K. Journal of Geophysical Research, 83(B3), 1257. doi:10.1029/jb083ib03p01257

Pereira, A. L. J., Gomis, O., Sans, J. A., Contreras-García, J., Manjón, F. J., Rodríguez-Hernández, P., … Beltrán, A. (2016). β−Bi2O3under compression: Optical and elastic properties and electron density topology analysis. Physical Review B, 93(22). doi:10.1103/physrevb.93.224111

Cuenca-Gotor, V. P., Sans, J. A., Ibáñez, J., Popescu, C., Gomis, O., Vilaplana, R., … Bergara, A. (2016). Structural, Vibrational, and Electronic Study of α-As2Te3 under Compression. The Journal of Physical Chemistry C, 120(34), 19340-19352. doi:10.1021/acs.jpcc.6b06049

Korabel’nikov, D. V., & Zhuravlev, Y. N. (2018). Structural, elastic, electronic and vibrational properties of a series of sulfates from first principles calculations. Journal of Physics and Chemistry of Solids, 119, 114-121. doi:10.1016/j.jpcs.2018.03.037

Santamaría-Pérez, D., Gracia, L., Garbarino, G., Beltrán, A., Chuliá-Jordán, R., Gomis, O., … Segura, A. (2011). High-pressure study of the behavior of mineral barite by x-ray diffraction. Physical Review B, 84(5). doi:10.1103/physrevb.84.054102

Santamaria-Perez, D., Chulia-Jordan, R., Daisenberger, D., Rodriguez-Hernandez, P., & Muñoz, A. (2019). Dense Post-Barite-type Polymorph of PbSO4 Anglesite at High Pressures. Inorganic Chemistry, 58(4), 2708-2716. doi:10.1021/acs.inorgchem.8b03254

Hinrichsen, B., Dinnebier, R. E., Liu, H., & Jansen, M. (2008). The high pressure crystal structures of tin sulphate: a case study for maximal information recovery from 2D powder diffraction data. Zeitschrift für Kristallographie - Crystalline Materials, 223(3), 195-203. doi:10.1524/zkri.2008.0017

Knight, K. S. (2010). Analytical expressions to determine the isothermal compressibility tensor and the isobaric thermal expansion tensor for monoclinic crystals: application to determine the direction of maximum compressibility in jadeite. Physics and Chemistry of Minerals, 37(8), 529-533. doi:10.1007/s00269-009-0353-8

Angel, R. J. Win_Strain; http://www.rossangel.com/text_strain.htm.

Errandonea, D., Muñoz, A., Rodríguez-Hernández, P., Gomis, O., Achary, S. N., Popescu, C., … Tyagi, A. K. (2016). High-Pressure Crystal Structure, Lattice Vibrations, and Band Structure of BiSbO4. Inorganic Chemistry, 55(10), 4958-4969. doi:10.1021/acs.inorgchem.6b00503

Bodenstein, D., Brehm, A., Jones, P. G., Schwarzmann, E., & Sheldrick, G. M. (1982). Darstellung und Kristallstruktur von Arsen(III)phosplior(V)oxid, AsPO4 / Preparation and Crystal Structure of Arsenic(III) Phosphorus(V) Oxide, AsPO4. Zeitschrift für Naturforschung B, 37(2), 136-137. doi:10.1515/znb-1982-0203

Ruiz-Fuertes, J., Friedrich, A., Gomis, O., Errandonea, D., Morgenroth, W., Sans, J. A., & Santamaría-Pérez, D. (2015). High-pressure structural phase transition inMnWO4. Physical Review B, 91(10). doi:10.1103/physrevb.91.104109

Garg, A. B., Errandonea, D., Rodríguez-Hernández, P., & Muñoz, A. (2016). ScVO4under non-hydrostatic compression: a new metastable polymorph. Journal of Physics: Condensed Matter, 29(5), 055401. doi:10.1088/1361-648x/29/5/055401

Momma, K., & Izumi, F. (2011). VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data. Journal of Applied Crystallography, 44(6), 1272-1276. doi:10.1107/s0021889811038970

Hoppe, R. (1970). The Coordination Number– an«Inorganic Chameleon». Angewandte Chemie International Edition in English, 9(1), 25-34. doi:10.1002/anie.197000251

Hoppe, R. (1979). Effective coordination numbers (ECoN) and mean fictive ionic radii (MEFIR). Zeitschrift für Kristallographie - Crystalline Materials, 150(1-4), 23-52. doi:10.1524/zkri.1979.150.14.23

Baur, W. H. (1974). The geometry of polyhedral distortions. Predictive relationships for the phosphate group. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, 30(5), 1195-1215. doi:10.1107/s0567740874004560

Guńka, P. A., & Zachara, J. (2019). Towards a quantitative bond valence description of coordination spheres – the concepts of valence entropy and valence diversity coordination numbers. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 75(1), 86-96. doi:10.1107/s2052520618017833

Ruiz-Fuertes, J., Segura, A., Rodríguez, F., Errandonea, D., & Sanz-Ortiz, M. N. (2012). Anomalous High-Pressure Jahn-Teller Behavior inCuWO4. Physical Review Letters, 108(16). doi:10.1103/physrevlett.108.166402

Pellicer-Porres, J., Saitta, A. M., Polian, A., Itié, J. P., & Hanfland, M. (2007). Six-fold-coordinated phosphorus by oxygen in AlPO4 quartz homeotype under high pressure. Nature Materials, 6(9), 698-702. doi:10.1038/nmat1966

Angot, E., Huang, B., Levelut, C., Le Parc, R., Hermet, P., Pereira, A. S., … Haines, J. (2017). Experimental and first-principles calculation study of the pressure-induced transitions to a metastable phase inGaPO4and in the solid solutionAlPO4−GaPO4. Physical Review Materials, 1(3). doi:10.1103/physrevmaterials.1.033607

Stavrou, E., Tatsi, A., Salpea, E., Boulmetis, Y. C., Kontos, A. G., Raptis, Y. S., & Raptis, C. (2008). Raman study of zircon-structured RPO4(R = Y, Tb, Er, Tm) phosphates at high pressures. Journal of Physics: Conference Series, 121(4), 042016. doi:10.1088/1742-6596/121/4/042016

Tatsi, A., Stavrou, E., Boulmetis, Y. C., Kontos, A. G., Raptis, Y. S., & Raptis, C. (2008). Raman study of tetragonal TbPO4and observation of a first-order phase transition at high pressure. Journal of Physics: Condensed Matter, 20(42), 425216. doi:10.1088/0953-8984/20/42/425216

Zhang, F. X., Wang, J. W., Lang, M., Zhang, J. M., Ewing, R. C., & Boatner, L. A. (2009). High-pressure phase transitions ofScPO4andYPO4. Physical Review B, 80(18). doi:10.1103/physrevb.80.184114

Vilaplana, R., Santamaría-Pérez, D., Gomis, O., Manjón, F. J., González, J., Segura, A., … Kucek, V. (2011). Structural and vibrational study of Bi2Se3under high pressure. Physical Review B, 84(18). doi:10.1103/physrevb.84.184110

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