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Title: Materials Data on KGeCl3 by Materials Project

Abstract

KGeCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. K1+ is bonded to twelve Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with eight equivalent GeCl6 octahedra. There are a spread of K–Cl bond distances ranging from 3.69–3.89 Å. Ge2+ is bonded to six Cl1- atoms to form GeCl6 octahedra that share corners with six equivalent GeCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of Ge–Cl bond distances ranging from 2.44–2.92 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Ge2+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Ge2+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Ge2+ atoms.

Publication Date:
Other Number(s):
mp-998231
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; KGeCl3; Cl-Ge-K
OSTI Identifier:
1317289
DOI:
https://doi.org/10.17188/1317289

Citation Formats

The Materials Project. Materials Data on KGeCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317289.
The Materials Project. Materials Data on KGeCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1317289
The Materials Project. 2020. "Materials Data on KGeCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1317289. https://www.osti.gov/servlets/purl/1317289. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1317289,
title = {Materials Data on KGeCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {KGeCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. K1+ is bonded to twelve Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with eight equivalent GeCl6 octahedra. There are a spread of K–Cl bond distances ranging from 3.69–3.89 Å. Ge2+ is bonded to six Cl1- atoms to form GeCl6 octahedra that share corners with six equivalent GeCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of Ge–Cl bond distances ranging from 2.44–2.92 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Ge2+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Ge2+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Ge2+ atoms.},
doi = {10.17188/1317289},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}