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Title: Materials Data on CsMgF3 by Materials Project

Abstract

CsMgF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight equivalent MgF6 octahedra. All Cs–F bond lengths are 3.01 Å. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent MgF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–F bond lengths are 2.13 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Mg2+ atoms.

Publication Date:
Other Number(s):
mp-8401
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; CsMgF3; Cs-F-Mg
OSTI Identifier:
1308081
DOI:
https://doi.org/10.17188/1308081

Citation Formats

The Materials Project. Materials Data on CsMgF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308081.
The Materials Project. Materials Data on CsMgF3 by Materials Project. United States. doi:https://doi.org/10.17188/1308081
The Materials Project. 2020. "Materials Data on CsMgF3 by Materials Project". United States. doi:https://doi.org/10.17188/1308081. https://www.osti.gov/servlets/purl/1308081. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1308081,
title = {Materials Data on CsMgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsMgF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight equivalent MgF6 octahedra. All Cs–F bond lengths are 3.01 Å. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent MgF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–F bond lengths are 2.13 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Mg2+ atoms.},
doi = {10.17188/1308081},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}