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Title: Materials Data on GeBiNO7 by Materials Project

Abstract

GeBiNO7 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two GeBiNO7 sheets oriented in the (0, 0, 1) direction. 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 1.78–1.80 Å. Bi5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.66 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.32 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ge4+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Bi5+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to one Ge4+ and one O2- atom. The O–O bond length is 1.50 Å. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Bi5+ and one O2- atom. In the fifth O2- site, O2- is bonded in a distortedmore » water-like geometry to one Bi5+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1195356
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; GeBiNO7; Bi-Ge-N-O
OSTI Identifier:
1672176
DOI:
10.17188/1672176

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GeBiNO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672176.
Persson, Kristin, & Project, Materials. Materials Data on GeBiNO7 by Materials Project. United States. doi:10.17188/1672176.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on GeBiNO7 by Materials Project". United States. doi:10.17188/1672176. https://www.osti.gov/servlets/purl/1672176. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672176,
title = {Materials Data on GeBiNO7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {GeBiNO7 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two GeBiNO7 sheets oriented in the (0, 0, 1) direction. 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 1.78–1.80 Å. Bi5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.66 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.32 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ge4+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Bi5+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to one Ge4+ and one O2- atom. The O–O bond length is 1.50 Å. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Bi5+ and one O2- atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Bi5+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.},
doi = {10.17188/1672176},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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