Materials Data on CdSnP14 by Materials Project
Abstract
CdSnP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded in a tetrahedral geometry to four P+0.29- atoms. There are three shorter (2.62 Å) and one longer (2.72 Å) Cd–P bond lengths. Sn2+ is bonded in a distorted square co-planar geometry to four P+0.29- atoms. There are a spread of Sn–P bond distances ranging from 2.71–2.97 Å. There are nine inequivalent P+0.29- sites. In the first P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are a spread of P–P bond distances ranging from 2.21–2.30 Å. In the second P+0.29- site, P+0.29- is bonded to one Cd2+, one Sn2+, and two equivalent P+0.29- atoms to form distorted corner-sharing PCdSnP2 tetrahedra. In the third P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are one shorter (2.21 Å) and one longer (2.23 Å) P–P bond lengths. In the fourth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are two shorter (2.23 Å) and one longer (2.24 Å) P–P bond lengths. In the fifth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199087
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CdSnP14; Cd-P-Sn
- OSTI Identifier:
- 1651841
- DOI:
- https://doi.org/10.17188/1651841
Citation Formats
The Materials Project. Materials Data on CdSnP14 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651841.
The Materials Project. Materials Data on CdSnP14 by Materials Project. United States. doi:https://doi.org/10.17188/1651841
The Materials Project. 2020.
"Materials Data on CdSnP14 by Materials Project". United States. doi:https://doi.org/10.17188/1651841. https://www.osti.gov/servlets/purl/1651841. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1651841,
title = {Materials Data on CdSnP14 by Materials Project},
author = {The Materials Project},
abstractNote = {CdSnP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded in a tetrahedral geometry to four P+0.29- atoms. There are three shorter (2.62 Å) and one longer (2.72 Å) Cd–P bond lengths. Sn2+ is bonded in a distorted square co-planar geometry to four P+0.29- atoms. There are a spread of Sn–P bond distances ranging from 2.71–2.97 Å. There are nine inequivalent P+0.29- sites. In the first P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are a spread of P–P bond distances ranging from 2.21–2.30 Å. In the second P+0.29- site, P+0.29- is bonded to one Cd2+, one Sn2+, and two equivalent P+0.29- atoms to form distorted corner-sharing PCdSnP2 tetrahedra. In the third P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are one shorter (2.21 Å) and one longer (2.23 Å) P–P bond lengths. In the fourth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are two shorter (2.23 Å) and one longer (2.24 Å) P–P bond lengths. In the fifth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. Both P–P bond lengths are 2.22 Å. In the sixth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. The P–P bond length is 2.20 Å. In the seventh P+0.29- site, P+0.29- is bonded to one Cd2+, one Sn2+, and two equivalent P+0.29- atoms to form distorted corner-sharing PCdSnP2 tetrahedra. In the eighth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. The P–P bond length is 2.20 Å. In the ninth P+0.29- site, P+0.29- is bonded to one Cd2+, one Sn2+, and two P+0.29- atoms to form distorted corner-sharing PCdSnP2 tetrahedra.},
doi = {10.17188/1651841},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}