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Title: Materials Data on ReTe7O7F32 by Materials Project

Abstract

ReTe7O7F32 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ReTe7O7F32 clusters. Re6+ is bonded in a 6-coordinate geometry to five O2- and one F1- atom. There are a spread of Re–O bond distances ranging from 1.68–1.98 Å. The Re–F bond length is 2.28 Å. There are seven inequivalent Te+5.71+ sites. In the first Te+5.71+ site, Te+5.71+ is bonded in a rectangular see-saw-like geometry to two O2- and two F1- atoms. There is one shorter (1.93 Å) and one longer (2.00 Å) Te–O bond length. There is one shorter (1.87 Å) and one longer (2.10 Å) Te–F bond length. In the second Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.93 Å. There are a spread of Te–F bond distances ranging from 1.86–1.88 Å. In the third Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.93 Å. There is two shorter (1.87 Å) and three longer (1.88 Å) Te–F bond length. In the fourth Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and fivemore » F1- atoms. The Te–O bond length is 1.92 Å. There are a spread of Te–F bond distances ranging from 1.87–1.90 Å. In the fifth Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.92 Å. There are a spread of Te–F bond distances ranging from 1.87–1.90 Å. In the sixth Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.93 Å. There is two shorter (1.87 Å) and three longer (1.88 Å) Te–F bond length. In the seventh Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.90 Å. There are a spread of Te–F bond distances ranging from 1.87–1.90 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+5.71+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+5.71+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom. There are thirty-two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the sixteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the seventeenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the eighteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the nineteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twentieth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-first F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-second F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-third F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-fourth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-fifth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-sixth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-seventh F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-eighth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-ninth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the thirtieth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the thirty-first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Re6+ and one Te+5.71+ atom. In the thirty-second F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-649107
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ReTe7O7F32; F-O-Re-Te
OSTI Identifier:
1280855
DOI:
https://doi.org/10.17188/1280855

Citation Formats

The Materials Project. Materials Data on ReTe7O7F32 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280855.
The Materials Project. Materials Data on ReTe7O7F32 by Materials Project. United States. doi:https://doi.org/10.17188/1280855
The Materials Project. 2020. "Materials Data on ReTe7O7F32 by Materials Project". United States. doi:https://doi.org/10.17188/1280855. https://www.osti.gov/servlets/purl/1280855. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1280855,
title = {Materials Data on ReTe7O7F32 by Materials Project},
author = {The Materials Project},
abstractNote = {ReTe7O7F32 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ReTe7O7F32 clusters. Re6+ is bonded in a 6-coordinate geometry to five O2- and one F1- atom. There are a spread of Re–O bond distances ranging from 1.68–1.98 Å. The Re–F bond length is 2.28 Å. There are seven inequivalent Te+5.71+ sites. In the first Te+5.71+ site, Te+5.71+ is bonded in a rectangular see-saw-like geometry to two O2- and two F1- atoms. There is one shorter (1.93 Å) and one longer (2.00 Å) Te–O bond length. There is one shorter (1.87 Å) and one longer (2.10 Å) Te–F bond length. In the second Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.93 Å. There are a spread of Te–F bond distances ranging from 1.86–1.88 Å. In the third Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.93 Å. There is two shorter (1.87 Å) and three longer (1.88 Å) Te–F bond length. In the fourth Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.92 Å. There are a spread of Te–F bond distances ranging from 1.87–1.90 Å. In the fifth Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.92 Å. There are a spread of Te–F bond distances ranging from 1.87–1.90 Å. In the sixth Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.93 Å. There is two shorter (1.87 Å) and three longer (1.88 Å) Te–F bond length. In the seventh Te+5.71+ site, Te+5.71+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.90 Å. There are a spread of Te–F bond distances ranging from 1.87–1.90 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+5.71+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Te+5.71+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+5.71+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom. There are thirty-two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the sixteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the seventeenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the eighteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the nineteenth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twentieth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-first F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-second F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-third F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-fourth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-fifth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-sixth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-seventh F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-eighth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the twenty-ninth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the thirtieth F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom. In the thirty-first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Re6+ and one Te+5.71+ atom. In the thirty-second F1- site, F1- is bonded in a single-bond geometry to one Te+5.71+ atom.},
doi = {10.17188/1280855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}