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 › peer-review

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

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

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@article{92781d7168424cb39d4dbcc94b843f11,

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

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).",

keywords = "High-pressure synthesis, Pseudo-merohedral twinning, Silicon phosphates, Six-coordinated silicon",

author = "Stearns, {Linda A.} and Groy, {Thomas L.} and Kurt Leinenweber",

year = "2005",

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doi = "10.1016/j.jssc.2005.05.030",

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T1 - High-pressure synthesis and crystal structure of silicon phosphate hydroxide, SiPO4(OH)

AU - Stearns, Linda A.

AU - Groy, Thomas L.

AU - Leinenweber, Kurt

PY - 2005/9/1

Y1 - 2005/9/1

N2 - 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).

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).

KW - High-pressure synthesis

KW - Pseudo-merohedral twinning

KW - Silicon phosphates

KW - Six-coordinated silicon

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