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Title: Materials Data on K2MgF4 by Materials Project

Abstract

K2MgF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.67–2.85 Å. Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.02 Å) and two longer (2.03 Å) Mg–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to five equivalent K1+ and one Mg2+ atom to form a mixture of distorted corner and edge-sharing FK5Mg octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Mg2+ atoms.

Publication Date:
Other Number(s):
mp-31212
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; K2MgF4; F-K-Mg
OSTI Identifier:
1205509
DOI:
10.17188/1205509

Citation Formats

The Materials Project. Materials Data on K2MgF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205509.
The Materials Project. Materials Data on K2MgF4 by Materials Project. United States. doi:10.17188/1205509.
The Materials Project. 2020. "Materials Data on K2MgF4 by Materials Project". United States. doi:10.17188/1205509. https://www.osti.gov/servlets/purl/1205509. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205509,
title = {Materials Data on K2MgF4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2MgF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.67–2.85 Å. Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.02 Å) and two longer (2.03 Å) Mg–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to five equivalent K1+ and one Mg2+ atom to form a mixture of distorted corner and edge-sharing FK5Mg octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Mg2+ atoms.},
doi = {10.17188/1205509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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