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Title: Materials Data on Ti3SnH by Materials Project

Abstract

Ti3SnH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Sn and two equivalent H atoms. All Ti–Sn bond lengths are 2.95 Å. Both Ti–H bond lengths are 2.09 Å. Sn is bonded to twelve equivalent Ti atoms to form SnTi12 cuboctahedra that share corners with twelve equivalent SnTi12 cuboctahedra, faces with six equivalent SnTi12 cuboctahedra, and faces with eight equivalent HTi6 octahedra. H is bonded to six equivalent Ti atoms to form HTi6 octahedra that share corners with six equivalent HTi6 octahedra and faces with eight equivalent SnTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-644483
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; Ti3SnH; H-Sn-Ti
OSTI Identifier:
1280452
DOI:
https://doi.org/10.17188/1280452

Citation Formats

The Materials Project. Materials Data on Ti3SnH by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280452.
The Materials Project. Materials Data on Ti3SnH by Materials Project. United States. doi:https://doi.org/10.17188/1280452
The Materials Project. 2020. "Materials Data on Ti3SnH by Materials Project". United States. doi:https://doi.org/10.17188/1280452. https://www.osti.gov/servlets/purl/1280452. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1280452,
title = {Materials Data on Ti3SnH by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3SnH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Sn and two equivalent H atoms. All Ti–Sn bond lengths are 2.95 Å. Both Ti–H bond lengths are 2.09 Å. Sn is bonded to twelve equivalent Ti atoms to form SnTi12 cuboctahedra that share corners with twelve equivalent SnTi12 cuboctahedra, faces with six equivalent SnTi12 cuboctahedra, and faces with eight equivalent HTi6 octahedra. H is bonded to six equivalent Ti atoms to form HTi6 octahedra that share corners with six equivalent HTi6 octahedra and faces with eight equivalent SnTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1280452},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}