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Title: Materials Data on SrMgF4 by Materials Project

Abstract

SrMgF4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.50–3.02 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–3.04 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.99 Å. There are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 4–15°. There are a spread of Mg–F bond distances ranging from 1.93–2.06 Å. In the second Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There aremore » a spread of Mg–F bond distances ranging from 1.93–2.05 Å. In the third Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Mg–F bond distances ranging from 1.93–2.05 Å. In the fourth Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 4–15°. There are a spread of Mg–F bond distances ranging from 1.93–2.06 Å. There are fourteen inequivalent F1- sites. In the first F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the second F1- site, F1- is bonded in a distorted linear geometry to two Sr2+ and two Mg2+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Mg2+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Sr2+ and two Mg2+ atoms. In the fifth F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the sixth F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the seventh F1- site, F1- is bonded in a distorted linear geometry to two Sr2+ and two Mg2+ atoms. In the eighth F1- site, F1- is bonded in a linear geometry to two Mg2+ atoms. In the ninth F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the tenth F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the eleventh F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the twelfth F1- site, F1- is bonded in a distorted linear geometry to two equivalent Sr2+ and two Mg2+ atoms. In the thirteenth F1- site, F1- is bonded in a linear geometry to two equivalent Mg2+ atoms. In the fourteenth F1- site, F1- is bonded in a linear geometry to two equivalent Mg2+ atoms.« less

Publication Date:
Other Number(s):
mp-556290
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; SrMgF4; F-Mg-Sr
OSTI Identifier:
1269274
DOI:
https://doi.org/10.17188/1269274

Citation Formats

The Materials Project. Materials Data on SrMgF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269274.
The Materials Project. Materials Data on SrMgF4 by Materials Project. United States. doi:https://doi.org/10.17188/1269274
The Materials Project. 2020. "Materials Data on SrMgF4 by Materials Project". United States. doi:https://doi.org/10.17188/1269274. https://www.osti.gov/servlets/purl/1269274. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1269274,
title = {Materials Data on SrMgF4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrMgF4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.50–3.02 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–3.04 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.99 Å. There are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 4–15°. There are a spread of Mg–F bond distances ranging from 1.93–2.06 Å. In the second Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Mg–F bond distances ranging from 1.93–2.05 Å. In the third Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Mg–F bond distances ranging from 1.93–2.05 Å. In the fourth Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 4–15°. There are a spread of Mg–F bond distances ranging from 1.93–2.06 Å. There are fourteen inequivalent F1- sites. In the first F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the second F1- site, F1- is bonded in a distorted linear geometry to two Sr2+ and two Mg2+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Mg2+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Sr2+ and two Mg2+ atoms. In the fifth F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the sixth F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the seventh F1- site, F1- is bonded in a distorted linear geometry to two Sr2+ and two Mg2+ atoms. In the eighth F1- site, F1- is bonded in a linear geometry to two Mg2+ atoms. In the ninth F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the tenth F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the eleventh F1- site, F1- is bonded to three Sr2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FSr3Mg tetrahedra. In the twelfth F1- site, F1- is bonded in a distorted linear geometry to two equivalent Sr2+ and two Mg2+ atoms. In the thirteenth F1- site, F1- is bonded in a linear geometry to two equivalent Mg2+ atoms. In the fourteenth F1- site, F1- is bonded in a linear geometry to two equivalent Mg2+ atoms.},
doi = {10.17188/1269274},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}