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Title: Materials Data on MgCoF4 by Materials Project

Abstract

MgCoF4 is alpha bismuth trifluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.13–2.19 Å. In the second Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.09–2.29 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.12–2.27 Å. In the second Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.11–2.29 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the second F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharingmore » FMg2Co2 tetrahedra. In the third F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the fourth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the fifth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of distorted corner and edge-sharing FMg2Co2 tetrahedra. In the sixth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the seventh F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the eighth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra.« less

Publication Date:
Other Number(s):
mvc-14233
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; MgCoF4; Co-F-Mg
OSTI Identifier:
1319086
DOI:
https://doi.org/10.17188/1319086

Citation Formats

The Materials Project. Materials Data on MgCoF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319086.
The Materials Project. Materials Data on MgCoF4 by Materials Project. United States. doi:https://doi.org/10.17188/1319086
The Materials Project. 2020. "Materials Data on MgCoF4 by Materials Project". United States. doi:https://doi.org/10.17188/1319086. https://www.osti.gov/servlets/purl/1319086. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1319086,
title = {Materials Data on MgCoF4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgCoF4 is alpha bismuth trifluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.13–2.19 Å. In the second Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.09–2.29 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.12–2.27 Å. In the second Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.11–2.29 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the second F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the third F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the fourth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the fifth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of distorted corner and edge-sharing FMg2Co2 tetrahedra. In the sixth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the seventh F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the eighth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra.},
doi = {10.17188/1319086},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}