TY - JOUR
T1 - High-pressure synthesis and crystal structure of silicon phosphate hydroxide, SiPO4(OH)
AU - Stearns, Linda A.
AU - Groy, Thomas L.
AU - Leinenweber, Kurt
N1 - Funding Information:
The authors wish to thank Gordon Moore for providing training and assistance on the electron microprobe. We also acknowledge Darren Locke for several useful discussions. The synthesis, crystal structure determination, and microprobe studies were carried out with the support of Award NSF EAR-0074089 to KL. We would like to express our gratitude to the National Science Foundation for their contribution toward the purchase of the single crystal instrumentation used in this study through Award NSF CHE-9808440.
PY - 2005/9
Y1 - 2005/9
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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U2 - 10.1016/j.jssc.2005.05.030
DO - 10.1016/j.jssc.2005.05.030
M3 - Article
AN - SCOPUS:24144489100
VL - 178
SP - 2594
EP - 2601
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
SN - 0022-4596
IS - 9
ER -