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Title: Materials Data on Ca2InOsO6 by Materials Project

Abstract

Ca2OsInO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.87 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There is four shorter (1.99 Å) and two longer (2.00 Å) Os–O bond length. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are a spread of In–O bond distances ranging from 2.18–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Os5+, and one In3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Os5+, and one In3+ atom. In the third O2- site, O2- is bonded to two equivalent Ca2+, one Os5+, and one In3+ atom to form distorted corner-sharing OCa2InOs tetrahedra.

Publication Date:
Other Number(s):
mp-1188515
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; Ca2InOsO6; Ca-In-O-Os
OSTI Identifier:
1680995
DOI:
https://doi.org/10.17188/1680995

Citation Formats

The Materials Project. Materials Data on Ca2InOsO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680995.
The Materials Project. Materials Data on Ca2InOsO6 by Materials Project. United States. doi:https://doi.org/10.17188/1680995
The Materials Project. 2019. "Materials Data on Ca2InOsO6 by Materials Project". United States. doi:https://doi.org/10.17188/1680995. https://www.osti.gov/servlets/purl/1680995. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1680995,
title = {Materials Data on Ca2InOsO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2OsInO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.87 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There is four shorter (1.99 Å) and two longer (2.00 Å) Os–O bond length. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are a spread of In–O bond distances ranging from 2.18–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Os5+, and one In3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Os5+, and one In3+ atom. In the third O2- site, O2- is bonded to two equivalent Ca2+, one Os5+, and one In3+ atom to form distorted corner-sharing OCa2InOs tetrahedra.},
doi = {10.17188/1680995},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}