Materials Data on SrP4(NO6)2 by Materials Project
Sr(PO3)4N2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of four ammonia molecules and one Sr(PO3)4 framework. In the Sr(PO3)4 framework, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.58 Å) and four longer (2.68 Å) Sr–O bond lengths. P5+ is bonded to four O2- 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 O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one P5+ 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:
- 1718042
- Report Number(s):
- mp-1208624
- Country of Publication:
- United States
- Language:
- English
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