U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SnP7Au3 by Materials Project
Abstract
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 themore »
- Publication Date:
- Other Number(s):
- mp-3245
- 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; Au-P-Sn; SnP7Au3; crystal structure
- OSTI Identifier:
- 1206228
- DOI:
- https://doi.org/10.17188/1206228
Citation Formats
Materials Data on SnP7Au3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206228.
Materials Data on SnP7Au3 by Materials Project. United States. doi:https://doi.org/10.17188/1206228
2020.
"Materials Data on SnP7Au3 by Materials Project". United States. doi:https://doi.org/10.17188/1206228. https://www.osti.gov/servlets/purl/1206228. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1206228,
title = {Materials Data on SnP7Au3 by Materials Project},
abstractNote = {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.},
doi = {10.17188/1206228},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}