Materials Data on MgCrF4 by Materials Project
Abstract
MgCrF4 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 8-coordinate geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.12–2.30 Å. In the second Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.13–2.29 Å. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a distorted square co-planar geometry to five F1- atoms. There are four shorter (2.02 Å) and one longer (2.60 Å) Cr–F bond lengths. In the second Cr2+ site, Cr2+ is bonded in a distorted square co-planar geometry to six F1- atoms. There are a spread of Cr–F bond distances ranging from 2.02–2.61 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and two Cr2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Cr2+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to twomore »
- Publication Date:
- Other Number(s):
- mvc-14348
- 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; MgCrF4; Cr-F-Mg
- OSTI Identifier:
- 1319117
- DOI:
- 10.17188/1319117
Citation Formats
The Materials Project. Materials Data on MgCrF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319117.
The Materials Project. Materials Data on MgCrF4 by Materials Project. United States. doi:10.17188/1319117.
The Materials Project. 2020.
"Materials Data on MgCrF4 by Materials Project". United States. doi:10.17188/1319117. https://www.osti.gov/servlets/purl/1319117. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1319117,
title = {Materials Data on MgCrF4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgCrF4 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 8-coordinate geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.12–2.30 Å. In the second Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.13–2.29 Å. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a distorted square co-planar geometry to five F1- atoms. There are four shorter (2.02 Å) and one longer (2.60 Å) Cr–F bond lengths. In the second Cr2+ site, Cr2+ is bonded in a distorted square co-planar geometry to six F1- atoms. There are a spread of Cr–F bond distances ranging from 2.02–2.61 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and two Cr2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Cr2+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and two Cr2+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Cr2+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Cr2+ atom. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Cr2+ atom. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Cr2+ atom. In the eighth F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and two Cr2+ atoms.},
doi = {10.17188/1319117},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}