Materials Data on SnPO4 by Materials Project
SnPO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SnPO4 sheet oriented in the (1, 0, 0) direction. Sn3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.09–2.24 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.56–1.58 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted L-shaped geometry to one Sn3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to one Sn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn3+ and one P5+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1282304
- Report Number(s):
- mp-672986
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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