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Title: Materials Data on Ca3MnZnO6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1194085· OSTI ID:1194085

Ca3ZnMnO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.66 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share faces with two equivalent ZnO6 pentagonal pyramids. All Mn–O bond lengths are 1.94 Å. Zn2+ is bonded to six equivalent O2- atoms to form distorted ZnO6 pentagonal pyramids that share faces with two equivalent MnO6 octahedra. All Zn–O bond lengths are 2.18 Å. O2- is bonded in a 6-coordinate geometry to four equivalent Ca2+, one Mn4+, and one Zn2+ atom.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1194085
Report Number(s):
mp-19224
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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