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Title: Materials Data on BaCu2Ge2O7 by Materials Project

Abstract

BaCu2Ge2O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–2.93 Å. Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–1.99 Å. Ge4+ is bonded to four O2- atoms to form distorted corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.76–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+, one Cu2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Cu2+, and one Ge4+ atom.

Publication Date:
Other Number(s):
mp-542101
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; BaCu2Ge2O7; Ba-Cu-Ge-O
OSTI Identifier:
1266391
DOI:
10.17188/1266391

Citation Formats

The Materials Project. Materials Data on BaCu2Ge2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266391.
The Materials Project. Materials Data on BaCu2Ge2O7 by Materials Project. United States. doi:10.17188/1266391.
The Materials Project. 2020. "Materials Data on BaCu2Ge2O7 by Materials Project". United States. doi:10.17188/1266391. https://www.osti.gov/servlets/purl/1266391. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1266391,
title = {Materials Data on BaCu2Ge2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {BaCu2Ge2O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–2.93 Å. Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–1.99 Å. Ge4+ is bonded to four O2- atoms to form distorted corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.76–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+, one Cu2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Cu2+, and one Ge4+ atom.},
doi = {10.17188/1266391},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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