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Title: Materials Data on GeP2O9 by Materials Project

Abstract

(Ge(PO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Ge(PO4)2 sheets oriented in the (0, 0, 1) direction. In each Ge(PO4)2 sheet, Ge is bonded to six O atoms to form GeO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.88–1.93 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 38–44°. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Ge and one P atom. In the second O site, O is bonded in a single-bond geometry to one Pmore » atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ge and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Ge and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Ge and one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Ge and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one P atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Ge and one P atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1197518
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; GeP2O9; Ge-O-P
OSTI Identifier:
1718367
DOI:
https://doi.org/10.17188/1718367

Citation Formats

The Materials Project. Materials Data on GeP2O9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1718367.
The Materials Project. Materials Data on GeP2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1718367
The Materials Project. 2019. "Materials Data on GeP2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1718367. https://www.osti.gov/servlets/purl/1718367. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1718367,
title = {Materials Data on GeP2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {(Ge(PO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Ge(PO4)2 sheets oriented in the (0, 0, 1) direction. In each Ge(PO4)2 sheet, Ge is bonded to six O atoms to form GeO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.88–1.93 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 38–44°. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Ge and one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ge and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Ge and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Ge and one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Ge and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one P atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Ge and one P atom.},
doi = {10.17188/1718367},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}