Materials Data on Cu4SnP10 by Materials Project
Abstract
Cu4SnP10 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four P+0.60- atoms to form CuP4 tetrahedra that share corners with twelve PCuSnP2 tetrahedra. All Cu–P bond lengths are 2.27 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three P+0.60- atoms. All Cu–P bond lengths are 2.26 Å. Sn2+ is bonded in a distorted T-shaped geometry to three equivalent P+0.60- atoms. All Sn–P bond lengths are 2.75 Å. There are four inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded to two equivalent Cu1+ and two P+0.60- atoms to form PCu2P2 tetrahedra that share corners with two equivalent CuP4 tetrahedra and corners with eight PCuSnP2 tetrahedra. Both P–P bond lengths are 2.19 Å. In the second P+0.60- site, P+0.60- is bonded to one Cu1+ and three equivalent P+0.60- atoms to form corner-sharing PCuP3 tetrahedra. In the third P+0.60- site, P+0.60- is bonded to one Cu1+ and three P+0.60- atoms to form corner-sharing PCuP3 tetrahedra. Both P–P bond lengths are 2.20 Å. In the fourth P+0.60- site, P+0.60- is bonded to one Cu1+, one Sn2+,more »
- Publication Date:
- Other Number(s):
- mp-34126
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Cu4SnP10; Cu-P-Sn
- OSTI Identifier:
- 1206721
- DOI:
- 10.17188/1206721
Citation Formats
The Materials Project. Materials Data on Cu4SnP10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206721.
The Materials Project. Materials Data on Cu4SnP10 by Materials Project. United States. doi:10.17188/1206721.
The Materials Project. 2020.
"Materials Data on Cu4SnP10 by Materials Project". United States. doi:10.17188/1206721. https://www.osti.gov/servlets/purl/1206721. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206721,
title = {Materials Data on Cu4SnP10 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu4SnP10 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four P+0.60- atoms to form CuP4 tetrahedra that share corners with twelve PCuSnP2 tetrahedra. All Cu–P bond lengths are 2.27 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three P+0.60- atoms. All Cu–P bond lengths are 2.26 Å. Sn2+ is bonded in a distorted T-shaped geometry to three equivalent P+0.60- atoms. All Sn–P bond lengths are 2.75 Å. There are four inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded to two equivalent Cu1+ and two P+0.60- atoms to form PCu2P2 tetrahedra that share corners with two equivalent CuP4 tetrahedra and corners with eight PCuSnP2 tetrahedra. Both P–P bond lengths are 2.19 Å. In the second P+0.60- site, P+0.60- is bonded to one Cu1+ and three equivalent P+0.60- atoms to form corner-sharing PCuP3 tetrahedra. In the third P+0.60- site, P+0.60- is bonded to one Cu1+ and three P+0.60- atoms to form corner-sharing PCuP3 tetrahedra. Both P–P bond lengths are 2.20 Å. In the fourth P+0.60- site, P+0.60- is bonded to one Cu1+, one Sn2+, and two equivalent P+0.60- atoms to form distorted PCuSnP2 tetrahedra that share corners with two equivalent CuP4 tetrahedra and corners with eight PCuSnP2 tetrahedra.},
doi = {10.17188/1206721},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}