High-pressure synthesis and crystal structure of silicon phosphate hydroxide, SiPO4(OH)

Linda A. Stearns; Thomas L. Groy; Kurt Leinenweber

doi:10.1016/j.jssc.2005.05.030

High-pressure synthesis and crystal structure of silicon phosphate hydroxide, SiPO₄(OH)

Linda A. Stearns, Thomas L. Groy, Kurt Leinenweber

CLAS-NS: Molecular Sciences, School of (SMS)

Research output: Contribution to journal › Article

5 Scopus citations

Abstract

A new high-pressure phase, silicon phosphate hydroxide, was prepared at 8.3±0.5GPa and 1000°C in >98% purity. From X-ray diffraction on a pseudo-merohedrally twinned crystal, it was found that SiPO₄(OH) crystallizes in a monoclinic cell with space group P21/n (No. 14), a=6.8446(11)Å,b=6.8683(13)Å,c=6.8446(11)Å,β=119.77(1) °, and Z=4. The refinement gave a conventional Robs of 0.0320 and wRobs of 0.0864 for the overlapped data from both twin components. In the structure, SiO₆ octahedra form chains along [101], with PO₄ tetrahedra alternating along the chain in the b-direction. The parallel chains link up with tetrahedral corners from other chains to form a 3-dimensional network. SiPO₄(OH) belongs to a structural family that includes HgSeO4·H2O. It is also related to the SbOPO₄ structure by a small distortion that lowers the symmetry from C2/c in SbOPO₄ to P21/c(P21/n) in SiPO₄(OH).

Original language	English (US)
Pages (from-to)	2594-2601
Number of pages	8
Journal	Journal of Solid State Chemistry
Volume	178
Issue number	9
DOIs	https://doi.org/10.1016/j.jssc.2005.05.030
State	Published - Sep 1 2005

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Keywords

High-pressure synthesis
Pseudo-merohedral twinning
Silicon phosphates
Six-coordinated silicon

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

Cite this

Stearns, L. A., Groy, T. L., & Leinenweber, K. (2005). High-pressure synthesis and crystal structure of silicon phosphate hydroxide, SiPO₄(OH). Journal of Solid State Chemistry, 178(9), 2594-2601. https://doi.org/10.1016/j.jssc.2005.05.030

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abstract = "A new high-pressure phase, silicon phosphate hydroxide, was prepared at 8.3±0.5GPa and 1000°C in >98% purity. From X-ray diffraction on a pseudo-merohedrally twinned crystal, it was found that SiPO4(OH) crystallizes in a monoclinic cell with space group P21/n (No. 14), a=6.8446(11){\AA},b=6.8683(13){\AA},c=6.8446(11){\AA},β=119.77(1) °, and Z=4. The refinement gave a conventional Robs of 0.0320 and wRobs of 0.0864 for the overlapped data from both twin components. In the structure, SiO6 octahedra form chains along [101], with PO4 tetrahedra alternating along the chain in the b-direction. The parallel chains link up with tetrahedral corners from other chains to form a 3-dimensional network. SiPO4(OH) belongs to a structural family that includes HgSeO4·H2O. It is also related to the SbOPO4 structure by a small distortion that lowers the symmetry from C2/c in SbOPO4 to P21/c(P21/n) in SiPO4(OH).",

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AB - A new high-pressure phase, silicon phosphate hydroxide, was prepared at 8.3±0.5GPa and 1000°C in >98% purity. From X-ray diffraction on a pseudo-merohedrally twinned crystal, it was found that SiPO4(OH) crystallizes in a monoclinic cell with space group P21/n (No. 14), a=6.8446(11)Å,b=6.8683(13)Å,c=6.8446(11)Å,β=119.77(1) °, and Z=4. The refinement gave a conventional Robs of 0.0320 and wRobs of 0.0864 for the overlapped data from both twin components. In the structure, SiO6 octahedra form chains along [101], with PO4 tetrahedra alternating along the chain in the b-direction. The parallel chains link up with tetrahedral corners from other chains to form a 3-dimensional network. SiPO4(OH) belongs to a structural family that includes HgSeO4·H2O. It is also related to the SbOPO4 structure by a small distortion that lowers the symmetry from C2/c in SbOPO4 to P21/c(P21/n) in SiPO4(OH).

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10.1016/j.jssc.2005.05.030