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Title: Materials Data on LiCa2InGe2 by Materials Project

Abstract

LiCa2InGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to one In and four Ge atoms. The Li–In bond length is 2.95 Å. There are a spread of Li–Ge bond distances ranging from 2.70–2.83 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 5-coordinate geometry to three equivalent In and five Ge atoms. There are two shorter (3.56 Å) and one longer (3.65 Å) Ca–In bond lengths. There are a spread of Ca–Ge bond distances ranging from 3.09–3.19 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to four equivalent In and five Ge atoms. There are two shorter (3.32 Å) and two longer (3.48 Å) Ca–In bond lengths. There are a spread of Ca–Ge bond distances ranging from 3.10–3.16 Å. In is bonded in a 12-coordinate geometry to one Li, seven Ca, and four Ge atoms. There are a spread of In–Ge bond distances ranging from 2.83–2.87 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to one Li, six Ca, and two equivalent In atoms. Inmore » the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four Ca, and two equivalent In atoms.« less

Publication Date:
Other Number(s):
mp-570850
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; LiCa2InGe2; Ca-Ge-In-Li
OSTI Identifier:
1275941
DOI:
https://doi.org/10.17188/1275941

Citation Formats

The Materials Project. Materials Data on LiCa2InGe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275941.
The Materials Project. Materials Data on LiCa2InGe2 by Materials Project. United States. doi:https://doi.org/10.17188/1275941
The Materials Project. 2020. "Materials Data on LiCa2InGe2 by Materials Project". United States. doi:https://doi.org/10.17188/1275941. https://www.osti.gov/servlets/purl/1275941. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1275941,
title = {Materials Data on LiCa2InGe2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCa2InGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to one In and four Ge atoms. The Li–In bond length is 2.95 Å. There are a spread of Li–Ge bond distances ranging from 2.70–2.83 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 5-coordinate geometry to three equivalent In and five Ge atoms. There are two shorter (3.56 Å) and one longer (3.65 Å) Ca–In bond lengths. There are a spread of Ca–Ge bond distances ranging from 3.09–3.19 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to four equivalent In and five Ge atoms. There are two shorter (3.32 Å) and two longer (3.48 Å) Ca–In bond lengths. There are a spread of Ca–Ge bond distances ranging from 3.10–3.16 Å. In is bonded in a 12-coordinate geometry to one Li, seven Ca, and four Ge atoms. There are a spread of In–Ge bond distances ranging from 2.83–2.87 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to one Li, six Ca, and two equivalent In atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four Ca, and two equivalent In atoms.},
doi = {10.17188/1275941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}