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Title: Materials Data on BiTeNO6 by Materials Project

Abstract

Bi(TeO3)(NO3) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.87 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.94 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Bi3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Bi3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Bi3+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi3+ and one N5+ atom. In the sixth O2- site, O2- is bonded inmore » a single-bond geometry to one Bi3+ and one N5+ atom.« less

Publication Date:
Other Number(s):
mp-1195032
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; BiTeNO6; Bi-N-O-Te
OSTI Identifier:
1709158
DOI:
https://doi.org/10.17188/1709158

Citation Formats

The Materials Project. Materials Data on BiTeNO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1709158.
The Materials Project. Materials Data on BiTeNO6 by Materials Project. United States. doi:https://doi.org/10.17188/1709158
The Materials Project. 2020. "Materials Data on BiTeNO6 by Materials Project". United States. doi:https://doi.org/10.17188/1709158. https://www.osti.gov/servlets/purl/1709158. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1709158,
title = {Materials Data on BiTeNO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi(TeO3)(NO3) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.87 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.94 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Bi3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Bi3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Bi3+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi3+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Bi3+ and one N5+ atom.},
doi = {10.17188/1709158},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}