Materials Data on SnP7Au3 by Materials Project
Au3SnP7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Au+0.33+ sites. In the first Au+0.33+ site, Au+0.33+ is bonded in a trigonal non-coplanar geometry to three P+0.71- atoms. There are a spread of Au–P bond distances ranging from 2.45–2.52 Å. In the second Au+0.33+ site, Au+0.33+ is bonded in a distorted trigonal non-coplanar geometry to three P+0.71- atoms. There are one shorter (2.48 Å) and two longer (2.49 Å) Au–P bond lengths. Sn4+ is bonded in a distorted T-shaped geometry to three P+0.71- atoms. There are two shorter (2.67 Å) and one longer (2.68 Å) Sn–P bond lengths. There are four inequivalent P+0.71- sites. In the first P+0.71- site, P+0.71- is bonded to one Au+0.33+, one Sn4+, and two equivalent P+0.71- atoms to form distorted corner-sharing PSnP2Au tetrahedra. Both P–P bond lengths are 2.22 Å. In the second P+0.71- site, P+0.71- is bonded to one Au+0.33+, one Sn4+, and two P+0.71- atoms to form corner-sharing PSnP2Au tetrahedra. Both P–P bond lengths are 2.21 Å. In the third P+0.71- site, P+0.71- is bonded to two Au+0.33+ and two P+0.71- atoms to form corner-sharing PP2Au2 tetrahedra. The P–P bond length is 2.23 Å. In the fourth P+0.71- site, P+0.71- is bonded to one Au+0.33+ and three P+0.71- atoms to form corner-sharing PP3Au tetrahedra.
- 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:
- 1206228
- Report Number(s):
- mp-3245
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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