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Title: Materials Data on Cr3GeN by Materials Project

Abstract

GeNCr3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.47–2.65 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Cr–N bond length. In the second Cr site, Cr is bonded in a linear geometry to four Ge and two equivalent N atoms. There are three shorter (2.67 Å) and one longer (2.68 Å) Cr–Ge bond lengths. There are one shorter (2.00 Å) and one longer (2.01 Å) Cr–N bond lengths. In the third Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.65 Å. Both Cr–N bond lengths are 1.94 Å. In the fourth Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.64 Å. Both Cr–N bond lengths are 1.94 Å. Theremore » are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to ten Cr atoms. In the second Ge site, Ge is bonded in a distorted q6 geometry to ten Cr atoms. N is bonded to six Cr atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 0–27°.« less

Publication Date:
Other Number(s):
mp-637918
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; Cr3GeN; Cr-Ge-N
OSTI Identifier:
1279718
DOI:
10.17188/1279718

Citation Formats

The Materials Project. Materials Data on Cr3GeN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279718.
The Materials Project. Materials Data on Cr3GeN by Materials Project. United States. doi:10.17188/1279718.
The Materials Project. 2020. "Materials Data on Cr3GeN by Materials Project". United States. doi:10.17188/1279718. https://www.osti.gov/servlets/purl/1279718. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1279718,
title = {Materials Data on Cr3GeN by Materials Project},
author = {The Materials Project},
abstractNote = {GeNCr3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.47–2.65 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Cr–N bond length. In the second Cr site, Cr is bonded in a linear geometry to four Ge and two equivalent N atoms. There are three shorter (2.67 Å) and one longer (2.68 Å) Cr–Ge bond lengths. There are one shorter (2.00 Å) and one longer (2.01 Å) Cr–N bond lengths. In the third Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.65 Å. Both Cr–N bond lengths are 1.94 Å. In the fourth Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.64 Å. Both Cr–N bond lengths are 1.94 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to ten Cr atoms. In the second Ge site, Ge is bonded in a distorted q6 geometry to ten Cr atoms. N is bonded to six Cr atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 0–27°.},
doi = {10.17188/1279718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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