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Title: Materials Data on Cd2P3Cl by Materials Project

Abstract

Cd2P3Cl crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 4-coordinate geometry to three P1- and two equivalent Cl1- atoms. There are a spread of Cd–P bond distances ranging from 2.57–2.67 Å. There are one shorter (2.73 Å) and one longer (3.43 Å) Cd–Cl bond lengths. In the second Cd2+ site, Cd2+ is bonded in a 5-coordinate geometry to three P1- and two equivalent Cl1- atoms. There are a spread of Cd–P bond distances ranging from 2.57–2.67 Å. There are one shorter (2.72 Å) and one longer (3.42 Å) Cd–Cl bond lengths. There are three inequivalent P1- sites. In the first P1- site, P1- is bonded to two Cd2+ and two P1- atoms to form distorted corner-sharing PCd2P2 tetrahedra. Both P–P bond lengths are 2.21 Å. In the second P1- site, P1- is bonded to two equivalent Cd2+ and two P1- atoms to form distorted corner-sharing PCd2P2 trigonal pyramids. The P–P bond length is 2.20 Å. In the third P1- site, P1- is bonded to two equivalent Cd2+ and two P1- atoms to form distorted corner-sharing PCd2P2 trigonal pyramids. Cl1- is bondedmore » in a distorted L-shaped geometry to four Cd2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-29246
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; Cd2P3Cl; Cd-Cl-P
OSTI Identifier:
1203626
DOI:
https://doi.org/10.17188/1203626

Citation Formats

The Materials Project. Materials Data on Cd2P3Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203626.
The Materials Project. Materials Data on Cd2P3Cl by Materials Project. United States. doi:https://doi.org/10.17188/1203626
The Materials Project. 2020. "Materials Data on Cd2P3Cl by Materials Project". United States. doi:https://doi.org/10.17188/1203626. https://www.osti.gov/servlets/purl/1203626. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1203626,
title = {Materials Data on Cd2P3Cl by Materials Project},
author = {The Materials Project},
abstractNote = {Cd2P3Cl crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 4-coordinate geometry to three P1- and two equivalent Cl1- atoms. There are a spread of Cd–P bond distances ranging from 2.57–2.67 Å. There are one shorter (2.73 Å) and one longer (3.43 Å) Cd–Cl bond lengths. In the second Cd2+ site, Cd2+ is bonded in a 5-coordinate geometry to three P1- and two equivalent Cl1- atoms. There are a spread of Cd–P bond distances ranging from 2.57–2.67 Å. There are one shorter (2.72 Å) and one longer (3.42 Å) Cd–Cl bond lengths. There are three inequivalent P1- sites. In the first P1- site, P1- is bonded to two Cd2+ and two P1- atoms to form distorted corner-sharing PCd2P2 tetrahedra. Both P–P bond lengths are 2.21 Å. In the second P1- site, P1- is bonded to two equivalent Cd2+ and two P1- atoms to form distorted corner-sharing PCd2P2 trigonal pyramids. The P–P bond length is 2.20 Å. In the third P1- site, P1- is bonded to two equivalent Cd2+ and two P1- atoms to form distorted corner-sharing PCd2P2 trigonal pyramids. Cl1- is bonded in a distorted L-shaped geometry to four Cd2+ atoms.},
doi = {10.17188/1203626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}