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Title: Materials Data on Cr3CdF6 by Materials Project

Abstract

Cr2CdF4CrF2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one chromium(ii) fluoride molecule and one Cr2CdF4 sheet oriented in the (0, 0, 1) direction. In the Cr2CdF4 sheet, there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a linear geometry to two equivalent F atoms. Both Cr–F bond lengths are 1.98 Å. In the second Cr site, Cr is bonded in a linear geometry to two equivalent F atoms. Both Cr–F bond lengths are 1.97 Å. Cd is bonded in a square co-planar geometry to four F atoms. There are two shorter (2.19 Å) and two longer (2.21 Å) Cd–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a water-like geometry to one Cr and one Cd atom. In the second F site, F is bonded in a bent 120 degrees geometry to one Cr and one Cd atom.

Publication Date:
Other Number(s):
mp-1214068
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; Cr3CdF6; Cd-Cr-F
OSTI Identifier:
1662192
DOI:
https://doi.org/10.17188/1662192

Citation Formats

The Materials Project. Materials Data on Cr3CdF6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1662192.
The Materials Project. Materials Data on Cr3CdF6 by Materials Project. United States. doi:https://doi.org/10.17188/1662192
The Materials Project. 2019. "Materials Data on Cr3CdF6 by Materials Project". United States. doi:https://doi.org/10.17188/1662192. https://www.osti.gov/servlets/purl/1662192. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1662192,
title = {Materials Data on Cr3CdF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2CdF4CrF2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one chromium(ii) fluoride molecule and one Cr2CdF4 sheet oriented in the (0, 0, 1) direction. In the Cr2CdF4 sheet, there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a linear geometry to two equivalent F atoms. Both Cr–F bond lengths are 1.98 Å. In the second Cr site, Cr is bonded in a linear geometry to two equivalent F atoms. Both Cr–F bond lengths are 1.97 Å. Cd is bonded in a square co-planar geometry to four F atoms. There are two shorter (2.19 Å) and two longer (2.21 Å) Cd–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a water-like geometry to one Cr and one Cd atom. In the second F site, F is bonded in a bent 120 degrees geometry to one Cr and one Cd atom.},
doi = {10.17188/1662192},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}