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Title: Materials Data on Sr2TmGaCu2O7 by Materials Project

Abstract

Sr2TmCu2GaO7 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.14 Å. Tm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.36–2.41 Å. Cu2+ is bonded to five O2- atoms to form distorted CuO5 square pyramids that share corners with four equivalent CuO5 square pyramids and a cornercorner with one GaO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.93–2.46 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent CuO5 square pyramids and corners with two equivalent GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.85–1.92 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Tm3+, and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form distorted corner-sharing OSr2Ga2 tetrahedra. In the third O2- site, O2- is bondedmore » in a 1-coordinate geometry to four equivalent Sr2+, one Cu2+, and one Ga3+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Tm3+, and two equivalent Cu2+ atoms.« less

Publication Date:
Other Number(s):
mp-1208765
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; Sr2TmGaCu2O7; Cu-Ga-O-Sr-Tm
OSTI Identifier:
1744723
DOI:
https://doi.org/10.17188/1744723

Citation Formats

The Materials Project. Materials Data on Sr2TmGaCu2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744723.
The Materials Project. Materials Data on Sr2TmGaCu2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1744723
The Materials Project. 2020. "Materials Data on Sr2TmGaCu2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1744723. https://www.osti.gov/servlets/purl/1744723. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1744723,
title = {Materials Data on Sr2TmGaCu2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2TmCu2GaO7 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.14 Å. Tm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.36–2.41 Å. Cu2+ is bonded to five O2- atoms to form distorted CuO5 square pyramids that share corners with four equivalent CuO5 square pyramids and a cornercorner with one GaO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.93–2.46 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent CuO5 square pyramids and corners with two equivalent GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.85–1.92 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Tm3+, and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form distorted corner-sharing OSr2Ga2 tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Sr2+, one Cu2+, and one Ga3+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Tm3+, and two equivalent Cu2+ atoms.},
doi = {10.17188/1744723},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}