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Title: Materials Data on ScCrO4 by Materials Project

Abstract

ScCrO4 is Zircon structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sc3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sc–O bond distances ranging from 2.16–2.44 Å. Cr5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.70 Å) and two longer (1.74 Å) Cr–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sc3+ and one Cr5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sc3+ and one Cr5+ atom.

Publication Date:
Other Number(s):
mp-1101382
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; ScCrO4; Cr-O-Sc
OSTI Identifier:
1757762
DOI:
https://doi.org/10.17188/1757762

Citation Formats

The Materials Project. Materials Data on ScCrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757762.
The Materials Project. Materials Data on ScCrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1757762
The Materials Project. 2020. "Materials Data on ScCrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1757762. https://www.osti.gov/servlets/purl/1757762. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757762,
title = {Materials Data on ScCrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ScCrO4 is Zircon structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sc3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sc–O bond distances ranging from 2.16–2.44 Å. Cr5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.70 Å) and two longer (1.74 Å) Cr–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sc3+ and one Cr5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sc3+ and one Cr5+ atom.},
doi = {10.17188/1757762},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}