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Title: Materials Data on Cd4P2Cl3 by Materials Project

Abstract

Cd4P2Cl3 is Clathrate-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a rectangular see-saw-like geometry to one P+2.50- and three equivalent Cl1- atoms. The Cd–P bond length is 2.50 Å. All Cd–Cl bond lengths are 2.65 Å. In the second Cd2+ site, Cd2+ is bonded in a distorted rectangular see-saw-like geometry to two P+2.50- and two equivalent Cl1- atoms. There are one shorter (2.50 Å) and one longer (2.53 Å) Cd–P bond lengths. There are one shorter (2.75 Å) and one longer (2.85 Å) Cd–Cl bond lengths. There are two inequivalent P+2.50- sites. In the first P+2.50- site, P+2.50- is bonded to three equivalent Cd2+ and one P+2.50- atom to form corner-sharing PCd3P tetrahedra. The P–P bond length is 2.20 Å. In the second P+2.50- site, P+2.50- is bonded to four Cd2+ atoms to form corner-sharing PCd4 trigonal pyramids. Cl1- is bonded in a trigonal non-coplanar geometry to three Cd2+ atoms.

Publication Date:
Other Number(s):
mp-29746
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; Cd4P2Cl3; Cd-Cl-P
OSTI Identifier:
1204214
DOI:
https://doi.org/10.17188/1204214

Citation Formats

The Materials Project. Materials Data on Cd4P2Cl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204214.
The Materials Project. Materials Data on Cd4P2Cl3 by Materials Project. United States. doi:https://doi.org/10.17188/1204214
The Materials Project. 2020. "Materials Data on Cd4P2Cl3 by Materials Project". United States. doi:https://doi.org/10.17188/1204214. https://www.osti.gov/servlets/purl/1204214. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1204214,
title = {Materials Data on Cd4P2Cl3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd4P2Cl3 is Clathrate-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a rectangular see-saw-like geometry to one P+2.50- and three equivalent Cl1- atoms. The Cd–P bond length is 2.50 Å. All Cd–Cl bond lengths are 2.65 Å. In the second Cd2+ site, Cd2+ is bonded in a distorted rectangular see-saw-like geometry to two P+2.50- and two equivalent Cl1- atoms. There are one shorter (2.50 Å) and one longer (2.53 Å) Cd–P bond lengths. There are one shorter (2.75 Å) and one longer (2.85 Å) Cd–Cl bond lengths. There are two inequivalent P+2.50- sites. In the first P+2.50- site, P+2.50- is bonded to three equivalent Cd2+ and one P+2.50- atom to form corner-sharing PCd3P tetrahedra. The P–P bond length is 2.20 Å. In the second P+2.50- site, P+2.50- is bonded to four Cd2+ atoms to form corner-sharing PCd4 trigonal pyramids. Cl1- is bonded in a trigonal non-coplanar geometry to three Cd2+ atoms.},
doi = {10.17188/1204214},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}