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Title: Materials Data on LaTiGe3 by Materials Project

Abstract

LaTiGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to twelve equivalent Ge atoms to form distorted LaGe12 cuboctahedra that share corners with six equivalent LaGe12 cuboctahedra, corners with six equivalent TiGe6 octahedra, faces with eight equivalent LaGe12 cuboctahedra, and faces with six equivalent TiGe6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are six shorter (3.19 Å) and six longer (3.32 Å) La–Ge bond lengths. Ti is bonded to six equivalent Ge atoms to form TiGe6 octahedra that share corners with six equivalent LaGe12 cuboctahedra, faces with six equivalent LaGe12 cuboctahedra, and faces with two equivalent TiGe6 octahedra. All Ti–Ge bond lengths are 2.62 Å. Ge is bonded in a 8-coordinate geometry to four equivalent La, two equivalent Ti, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.60 Å.

Publication Date:
Other Number(s):
mp-20085
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; LaTiGe3; Ge-La-Ti
OSTI Identifier:
1195238
DOI:
https://doi.org/10.17188/1195238

Citation Formats

The Materials Project. Materials Data on LaTiGe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195238.
The Materials Project. Materials Data on LaTiGe3 by Materials Project. United States. doi:https://doi.org/10.17188/1195238
The Materials Project. 2020. "Materials Data on LaTiGe3 by Materials Project". United States. doi:https://doi.org/10.17188/1195238. https://www.osti.gov/servlets/purl/1195238. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195238,
title = {Materials Data on LaTiGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaTiGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to twelve equivalent Ge atoms to form distorted LaGe12 cuboctahedra that share corners with six equivalent LaGe12 cuboctahedra, corners with six equivalent TiGe6 octahedra, faces with eight equivalent LaGe12 cuboctahedra, and faces with six equivalent TiGe6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are six shorter (3.19 Å) and six longer (3.32 Å) La–Ge bond lengths. Ti is bonded to six equivalent Ge atoms to form TiGe6 octahedra that share corners with six equivalent LaGe12 cuboctahedra, faces with six equivalent LaGe12 cuboctahedra, and faces with two equivalent TiGe6 octahedra. All Ti–Ge bond lengths are 2.62 Å. Ge is bonded in a 8-coordinate geometry to four equivalent La, two equivalent Ti, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.60 Å.},
doi = {10.17188/1195238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}