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Title: Materials Data on Te7OsO5F32 by Materials Project

Abstract

OsTe6O5F27TeF5 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two TeF5 clusters and two OsTe6O5F27 ribbons oriented in the (0, 1, 0) direction. In each TeF5 cluster, Te+4.86+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.87–1.96 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In each OsTe6O5F27 ribbon, Os8+ is bonded in a 6-coordinate geometry to five O2- and one F1- atom. There are a spread of Os–O bond distances ranging from 1.68–1.94 Å. The Os–F bond length is 2.34 Å. There are six inequivalent Te+4.86+ sites. In the first Te+4.86+ site, Te+4.86+ is bonded in a 3-coordinate geometry to threemore » F1- atoms. There are a spread of Te–F bond distances ranging from 1.93–2.41 Å. In the second Te+4.86+ site, Te+4.86+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Te–F bond distances ranging from 1.87–2.18 Å. In the third Te+4.86+ site, Te+4.86+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.96 Å. There are a spread of Te–F bond distances ranging from 1.87–1.89 Å. In the fourth Te+4.86+ site, Te+4.86+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.95 Å. There are a spread of Te–F bond distances ranging from 1.85–1.90 Å. In the fifth Te+4.86+ site, Te+4.86+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.96 Å. There are a spread of Te–F bond distances ranging from 1.87–1.90 Å. In the sixth Te+4.86+ site, Te+4.86+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.94 Å. There are a spread of Te–F bond distances ranging from 1.87–1.95 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Os8+ and one Te+4.86+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Os8+ and one Te+4.86+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Os8+ and one Te+4.86+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Os8+ and one Te+4.86+ atom. There are twenty-seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ and one F1- atom. The F–F bond length is 2.55 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ and one F1- atom. The F–F bond length is 2.91 Å. In the third F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Te+4.86+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ and one F1- atom. The F–F bond length is 2.62 Å. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the eleventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Te+4.86+ atoms. In the twelfth F1- site, F1- is bonded in a 2-coordinate geometry to one Os8+ and one Te+4.86+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the sixteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the seventeenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the eighteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the nineteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twentieth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twenty-first F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twenty-second F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ and one F1- atom. The F–F bond length is 2.83 Å. In the twenty-third F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twenty-fourth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twenty-fifth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twenty-sixth F1- site, F1- is bonded in a 4-coordinate geometry to four F1- atoms. In the twenty-seventh F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom.« less

Publication Date:
Other Number(s):
mp-648788
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; Te7OsO5F32; F-O-Os-Te
OSTI Identifier:
1280833
DOI:
https://doi.org/10.17188/1280833

Citation Formats

The Materials Project. Materials Data on Te7OsO5F32 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280833.
The Materials Project. Materials Data on Te7OsO5F32 by Materials Project. United States. doi:https://doi.org/10.17188/1280833
The Materials Project. 2020. "Materials Data on Te7OsO5F32 by Materials Project". United States. doi:https://doi.org/10.17188/1280833. https://www.osti.gov/servlets/purl/1280833. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1280833,
title = {Materials Data on Te7OsO5F32 by Materials Project},
author = {The Materials Project},
abstractNote = {OsTe6O5F27TeF5 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two TeF5 clusters and two OsTe6O5F27 ribbons oriented in the (0, 1, 0) direction. In each TeF5 cluster, Te+4.86+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.87–1.96 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In each OsTe6O5F27 ribbon, Os8+ is bonded in a 6-coordinate geometry to five O2- and one F1- atom. There are a spread of Os–O bond distances ranging from 1.68–1.94 Å. The Os–F bond length is 2.34 Å. There are six inequivalent Te+4.86+ sites. In the first Te+4.86+ site, Te+4.86+ is bonded in a 3-coordinate geometry to three F1- atoms. There are a spread of Te–F bond distances ranging from 1.93–2.41 Å. In the second Te+4.86+ site, Te+4.86+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Te–F bond distances ranging from 1.87–2.18 Å. In the third Te+4.86+ site, Te+4.86+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.96 Å. There are a spread of Te–F bond distances ranging from 1.87–1.89 Å. In the fourth Te+4.86+ site, Te+4.86+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.95 Å. There are a spread of Te–F bond distances ranging from 1.85–1.90 Å. In the fifth Te+4.86+ site, Te+4.86+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.96 Å. There are a spread of Te–F bond distances ranging from 1.87–1.90 Å. In the sixth Te+4.86+ site, Te+4.86+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.94 Å. There are a spread of Te–F bond distances ranging from 1.87–1.95 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Os8+ and one Te+4.86+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Os8+ and one Te+4.86+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Os8+ and one Te+4.86+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Os8+ and one Te+4.86+ atom. There are twenty-seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ and one F1- atom. The F–F bond length is 2.55 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ and one F1- atom. The F–F bond length is 2.91 Å. In the third F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Te+4.86+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ and one F1- atom. The F–F bond length is 2.62 Å. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the eleventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Te+4.86+ atoms. In the twelfth F1- site, F1- is bonded in a 2-coordinate geometry to one Os8+ and one Te+4.86+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the sixteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the seventeenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the eighteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the nineteenth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twentieth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twenty-first F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twenty-second F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ and one F1- atom. The F–F bond length is 2.83 Å. In the twenty-third F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twenty-fourth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twenty-fifth F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom. In the twenty-sixth F1- site, F1- is bonded in a 4-coordinate geometry to four F1- atoms. In the twenty-seventh F1- site, F1- is bonded in a single-bond geometry to one Te+4.86+ atom.},
doi = {10.17188/1280833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}