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Title: Materials Data on CaLa(GeIr)4 by Materials Project

Abstract

CaLa(IrGe)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All Ca–Ir bond lengths are 3.38 Å. All Ca–Ge bond lengths are 3.25 Å. La is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All La–Ir bond lengths are 3.38 Å. All La–Ge bond lengths are 3.27 Å. Ir is bonded to two equivalent Ca, two equivalent La, and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing IrCa2La2Ge4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.50 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.68 Å.

Authors:
Publication Date:
Other Number(s):
mp-1227179
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CaLa(GeIr)4; Ca-Ge-Ir-La
OSTI Identifier:
1654439
DOI:
https://doi.org/10.17188/1654439

Citation Formats

The Materials Project. Materials Data on CaLa(GeIr)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654439.
The Materials Project. Materials Data on CaLa(GeIr)4 by Materials Project. United States. doi:https://doi.org/10.17188/1654439
The Materials Project. 2020. "Materials Data on CaLa(GeIr)4 by Materials Project". United States. doi:https://doi.org/10.17188/1654439. https://www.osti.gov/servlets/purl/1654439. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1654439,
title = {Materials Data on CaLa(GeIr)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaLa(IrGe)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All Ca–Ir bond lengths are 3.38 Å. All Ca–Ge bond lengths are 3.25 Å. La is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All La–Ir bond lengths are 3.38 Å. All La–Ge bond lengths are 3.27 Å. Ir is bonded to two equivalent Ca, two equivalent La, and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing IrCa2La2Ge4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.50 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.68 Å.},
doi = {10.17188/1654439},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}