Materials Data on Cs4Sr3(PO3)12 by Materials Project
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.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1754702
- Report Number(s):
- mp-1203903
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Rb2Sr(PO3)4 by Materials Project
Materials Data on SrTl2(PO3)4 by Materials Project
Materials Data on SrP4(NO6)2 by Materials Project
Dataset
·
Sat May 09 00:00:00 EDT 2020
·
OSTI ID:1697582
Materials Data on SrTl2(PO3)4 by Materials Project
Dataset
·
Sat May 09 00:00:00 EDT 2020
·
OSTI ID:1695203
Materials Data on SrP4(NO6)2 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1718042