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Title: Materials Data on ScIr3C by Materials Project

Abstract

ScIr3C is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one methane molecule and one ScIr3 framework. In the ScIr3 framework, Sc is bonded to six Ir atoms to form corner-sharing ScIr6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.34 Å) and two longer (2.35 Å) Sc–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a linear geometry to two equivalent Sc atoms. In the second Ir site, Ir is bonded in a linear geometry to two equivalent Sc atoms.

Publication Date:
Other Number(s):
mp-624739
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; ScIr3C; C-Ir-Sc
OSTI Identifier:
1278276
DOI:
https://doi.org/10.17188/1278276

Citation Formats

The Materials Project. Materials Data on ScIr3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278276.
The Materials Project. Materials Data on ScIr3C by Materials Project. United States. doi:https://doi.org/10.17188/1278276
The Materials Project. 2020. "Materials Data on ScIr3C by Materials Project". United States. doi:https://doi.org/10.17188/1278276. https://www.osti.gov/servlets/purl/1278276. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1278276,
title = {Materials Data on ScIr3C by Materials Project},
author = {The Materials Project},
abstractNote = {ScIr3C is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one methane molecule and one ScIr3 framework. In the ScIr3 framework, Sc is bonded to six Ir atoms to form corner-sharing ScIr6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.34 Å) and two longer (2.35 Å) Sc–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a linear geometry to two equivalent Sc atoms. In the second Ir site, Ir is bonded in a linear geometry to two equivalent Sc atoms.},
doi = {10.17188/1278276},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}