U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-1197518
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ge-O-P; GeP2O9; crystal structure
- OSTI Identifier:
- 1718367
- DOI:
- https://doi.org/10.17188/1718367
Citation Formats
Materials Data on GeP2O9 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1718367.
Materials Data on GeP2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1718367
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:Fri Jan 11 23:00:00 EST 2019
@article{osti_1718367,
title = {Materials Data on GeP2O9 by 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}
}