U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrGe(PO4)2 by Materials Project
Abstract
SrGe(PO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.77 Å. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.85–1.93 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 36–49°. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Ge4+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Ge4+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-1020628
- 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-Sr; SrGe(PO4)2; crystal structure
- OSTI Identifier:
- 1351511
- DOI:
- https://doi.org/10.17188/1351511
Citation Formats
Materials Data on SrGe(PO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1351511.
Materials Data on SrGe(PO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1351511
2020.
"Materials Data on SrGe(PO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1351511. https://www.osti.gov/servlets/purl/1351511. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1351511,
title = {Materials Data on SrGe(PO4)2 by Materials Project},
abstractNote = {SrGe(PO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.77 Å. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.85–1.93 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 36–49°. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Ge4+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Ge4+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom.},
doi = {10.17188/1351511},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}