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Title: Materials Data on SiP2O7 by Materials Project

Abstract

SiP2O7 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Si–O bond lengths are 1.78 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SiO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There is three shorter (1.52 Å) and one longer (1.57 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Si4+ and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-554758
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SiP2O7; O-P-Si
OSTI Identifier:
1268084
DOI:
https://doi.org/10.17188/1268084

Citation Formats

The Materials Project. Materials Data on SiP2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268084.
The Materials Project. Materials Data on SiP2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1268084
The Materials Project. 2020. "Materials Data on SiP2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1268084. https://www.osti.gov/servlets/purl/1268084. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1268084,
title = {Materials Data on SiP2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {SiP2O7 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Si–O bond lengths are 1.78 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SiO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There is three shorter (1.52 Å) and one longer (1.57 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Si4+ and one P5+ atom.},
doi = {10.17188/1268084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}