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Title: Materials Data on CrP4(CO)2 by Materials Project

Abstract

CrP4(CO)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four CrP4(CO)2 clusters. Cr2+ is bonded in a distorted L-shaped geometry to two equivalent C1- and four P1+ atoms. Both Cr–C bond lengths are 1.95 Å. There are two shorter (2.21 Å) and two longer (2.24 Å) Cr–P bond lengths. C1- is bonded in a linear geometry to one Cr2+ and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent P1+ sites. In the first P1+ site, P1+ is bonded in a single-bond geometry to one Cr2+ atom. In the second P1+ site, P1+ is bonded in a single-bond geometry to one Cr2+ atom. O2- is bonded in a single-bond geometry to one C1- atom.

Publication Date:
Other Number(s):
mp-1188638
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; CrP4(CO)2; C-Cr-O-P
OSTI Identifier:
1753659
DOI:
https://doi.org/10.17188/1753659

Citation Formats

The Materials Project. Materials Data on CrP4(CO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753659.
The Materials Project. Materials Data on CrP4(CO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1753659
The Materials Project. 2020. "Materials Data on CrP4(CO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1753659. https://www.osti.gov/servlets/purl/1753659. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1753659,
title = {Materials Data on CrP4(CO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CrP4(CO)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four CrP4(CO)2 clusters. Cr2+ is bonded in a distorted L-shaped geometry to two equivalent C1- and four P1+ atoms. Both Cr–C bond lengths are 1.95 Å. There are two shorter (2.21 Å) and two longer (2.24 Å) Cr–P bond lengths. C1- is bonded in a linear geometry to one Cr2+ and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent P1+ sites. In the first P1+ site, P1+ is bonded in a single-bond geometry to one Cr2+ atom. In the second P1+ site, P1+ is bonded in a single-bond geometry to one Cr2+ atom. O2- is bonded in a single-bond geometry to one C1- atom.},
doi = {10.17188/1753659},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}