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Title: Materials Data on RbTeNO3F4 by Materials Project

Abstract

RbNTeO3F4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to three O2- and seven F1- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.30 Å. There are a spread of Rb–F bond distances ranging from 2.93–3.35 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to three O2- and seven F1- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.24 Å. There are a spread of Rb–F bond distances ranging from 2.90–3.11 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.29 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.32 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Te–F bond distances ranging frommore » 1.91–2.02 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Te–F bond distances ranging from 1.92–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one N5+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three Rb1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Rb1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Rb1+ and one Te4+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Te4+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Rb1+ and one Te4+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Te4+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to two Rb1+ and one Te4+ atom. In the eighth F1- site, F1- is bonded in a 1-coordinate geometry to two Rb1+ and one Te4+ atom.« less

Publication Date:
Other Number(s):
mp-669474
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; RbTeNO3F4; F-N-O-Rb-Te
OSTI Identifier:
1281637
DOI:
10.17188/1281637

Citation Formats

The Materials Project. Materials Data on RbTeNO3F4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281637.
The Materials Project. Materials Data on RbTeNO3F4 by Materials Project. United States. doi:10.17188/1281637.
The Materials Project. 2020. "Materials Data on RbTeNO3F4 by Materials Project". United States. doi:10.17188/1281637. https://www.osti.gov/servlets/purl/1281637. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1281637,
title = {Materials Data on RbTeNO3F4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbNTeO3F4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to three O2- and seven F1- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.30 Å. There are a spread of Rb–F bond distances ranging from 2.93–3.35 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to three O2- and seven F1- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.24 Å. There are a spread of Rb–F bond distances ranging from 2.90–3.11 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.29 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.32 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Te–F bond distances ranging from 1.91–2.02 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Te–F bond distances ranging from 1.92–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one N5+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three Rb1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Rb1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Rb1+ and one Te4+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Te4+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Rb1+ and one Te4+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Te4+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to two Rb1+ and one Te4+ atom. In the eighth F1- site, F1- is bonded in a 1-coordinate geometry to two Rb1+ and one Te4+ atom.},
doi = {10.17188/1281637},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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