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Title: Materials Data on BaGd2PtO5 by Materials Project

Abstract

BaGd2PtO5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.98 Å) and eight longer (3.01 Å) Ba–O bond lengths. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.57 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent Gd3+ atoms to form distorted corner-sharing OBa2Gd4 octahedra. The corner-sharing octahedra tilt angles range from 0–33°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Gd3+, and one Pt2+ atom.

Publication Date:
Other Number(s):
mp-19750
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; BaGd2PtO5; Ba-Gd-O-Pt
OSTI Identifier:
1194958
DOI:
https://doi.org/10.17188/1194958

Citation Formats

The Materials Project. Materials Data on BaGd2PtO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194958.
The Materials Project. Materials Data on BaGd2PtO5 by Materials Project. United States. doi:https://doi.org/10.17188/1194958
The Materials Project. 2020. "Materials Data on BaGd2PtO5 by Materials Project". United States. doi:https://doi.org/10.17188/1194958. https://www.osti.gov/servlets/purl/1194958. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1194958,
title = {Materials Data on BaGd2PtO5 by Materials Project},
author = {The Materials Project},
abstractNote = {BaGd2PtO5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.98 Å) and eight longer (3.01 Å) Ba–O bond lengths. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.57 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent Gd3+ atoms to form distorted corner-sharing OBa2Gd4 octahedra. The corner-sharing octahedra tilt angles range from 0–33°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Gd3+, and one Pt2+ atom.},
doi = {10.17188/1194958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}