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Title: Materials Data on Zn2Cr2O5 by Materials Project

Abstract

Cr2Zn2O5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to five O2- atoms to form distorted corner-sharing CrO5 trigonal bipyramids. There are a spread of Cr–O bond distances ranging from 1.94–2.08 Å. In the second Cr3+ site, Cr3+ is bonded to five O2- atoms to form distorted corner-sharing CrO5 trigonal bipyramids. There are a spread of Cr–O bond distances ranging from 1.94–2.08 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.03–2.61 Å. In the second Zn2+ site, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.04–2.61 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two Cr3+ and four Zn2+ atoms. In the second O2- site, O2- is bonded to two equivalent Cr3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cr2 tetrahedra. In the third O2-more » site, O2- is bonded to two equivalent Cr3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cr2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Cr3+ and two Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cr2 trigonal pyramids. In the fifth O2- site, O2- is bonded to two equivalent Cr3+ and two Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cr2 trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mvc-3986
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; Zn2Cr2O5; Cr-O-Zn
OSTI Identifier:
1320810
DOI:
https://doi.org/10.17188/1320810

Citation Formats

The Materials Project. Materials Data on Zn2Cr2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320810.
The Materials Project. Materials Data on Zn2Cr2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1320810
The Materials Project. 2020. "Materials Data on Zn2Cr2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1320810. https://www.osti.gov/servlets/purl/1320810. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1320810,
title = {Materials Data on Zn2Cr2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2Zn2O5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to five O2- atoms to form distorted corner-sharing CrO5 trigonal bipyramids. There are a spread of Cr–O bond distances ranging from 1.94–2.08 Å. In the second Cr3+ site, Cr3+ is bonded to five O2- atoms to form distorted corner-sharing CrO5 trigonal bipyramids. There are a spread of Cr–O bond distances ranging from 1.94–2.08 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.03–2.61 Å. In the second Zn2+ site, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.04–2.61 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two Cr3+ and four Zn2+ atoms. In the second O2- site, O2- is bonded to two equivalent Cr3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Cr3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cr2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Cr3+ and two Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cr2 trigonal pyramids. In the fifth O2- site, O2- is bonded to two equivalent Cr3+ and two Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cr2 trigonal pyramids.},
doi = {10.17188/1320810},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}