U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs4Sr3(PO3)12 by Materials Project
Abstract
Cs4Sr3(PO3)12 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Cs is bonded in a 6-coordinate geometry to six O atoms. There are three shorter (3.20 Å) and three longer (3.33 Å) Cs–O bond lengths. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.59 Å) and four longer (2.71 Å) Sr–O bond lengths. P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Cs, one Sr, and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the third O site, O is bonded in a distorted single-bond geometry to one Cs, one Sr, and one P atom.
- Publication Date:
- Other Number(s):
- mp-1203903
- 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; Cs-O-P-Sr; Cs4Sr3(PO3)12; crystal structure
- OSTI Identifier:
- 1754702
- DOI:
- https://doi.org/10.17188/1754702
Citation Formats
Materials Data on Cs4Sr3(PO3)12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1754702.
Materials Data on Cs4Sr3(PO3)12 by Materials Project. United States. doi:https://doi.org/10.17188/1754702
2020.
"Materials Data on Cs4Sr3(PO3)12 by Materials Project". United States. doi:https://doi.org/10.17188/1754702. https://www.osti.gov/servlets/purl/1754702. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1754702,
title = {Materials Data on Cs4Sr3(PO3)12 by Materials Project},
abstractNote = {Cs4Sr3(PO3)12 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Cs is bonded in a 6-coordinate geometry to six O atoms. There are three shorter (3.20 Å) and three longer (3.33 Å) Cs–O bond lengths. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.59 Å) and four longer (2.71 Å) Sr–O bond lengths. P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Cs, one Sr, and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the third O site, O is bonded in a distorted single-bond geometry to one Cs, one Sr, and one P atom.},
doi = {10.17188/1754702},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 04:00:00 UTC 2020},
month = {Wed Apr 29 04:00:00 UTC 2020}
}