skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-1199087
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; 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}
}