U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2SrP2O7 by Materials Project
Abstract
Cs2SrP2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.58 Å. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are four shorter (2.52 Å) and two longer (2.58 Å) Sr–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SrO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–40°. There are a spread of P–O bond distances ranging from 1.53–1.65 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sr2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sr2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-14355
- 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; Cs2SrP2O7; Cs-O-P-Sr
- OSTI Identifier:
- 1190629
- DOI:
- https://doi.org/10.17188/1190629
Citation Formats
The Materials Project. Materials Data on Cs2SrP2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190629.
The Materials Project. Materials Data on Cs2SrP2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1190629
The Materials Project. 2020.
"Materials Data on Cs2SrP2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1190629. https://www.osti.gov/servlets/purl/1190629. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1190629,
title = {Materials Data on Cs2SrP2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2SrP2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.58 Å. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are four shorter (2.52 Å) and two longer (2.58 Å) Sr–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SrO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–40°. There are a spread of P–O bond distances ranging from 1.53–1.65 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sr2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sr2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sr2+, and one P5+ atom.},
doi = {10.17188/1190629},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}