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Title: Materials Data on ZnSbF5 by Materials Project

Abstract

ZnSbF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Zn–F bond distances ranging from 1.39–2.71 Å. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.79–2.86 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 1-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–2.73 Å. In the second Sb3+ site, Sb3+ is bonded in a 2-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.63–2.27 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in an L-shaped geometry to one Zn2+, one Sb3+, and one F1- atom. The F–F bond length is 2.19 Å. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Zn2+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degreesmore » geometry to one Zn2+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Zn2+ and one F1- atom. The F–F bond length is 2.61 Å. In the fifth F1- site, F1- is bonded in a 5-coordinate geometry to one Zn2+, one Sb3+, and three F1- atoms. The F–F bond length is 2.27 Å. In the sixth F1- site, F1- is bonded in an L-shaped geometry to one Zn2+ and one Sb3+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ and one F1- atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to one Zn2+ and one Sb3+ atom. In the ninth F1- site, F1- is bonded in a distorted linear geometry to one Zn2+ and one Sb3+ atom. In the tenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one Sb3+ atom.« less

Publication Date:
Other Number(s):
mvc-14279
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; ZnSbF5; F-Sb-Zn
OSTI Identifier:
1319098
DOI:
https://doi.org/10.17188/1319098

Citation Formats

The Materials Project. Materials Data on ZnSbF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319098.
The Materials Project. Materials Data on ZnSbF5 by Materials Project. United States. doi:https://doi.org/10.17188/1319098
The Materials Project. 2020. "Materials Data on ZnSbF5 by Materials Project". United States. doi:https://doi.org/10.17188/1319098. https://www.osti.gov/servlets/purl/1319098. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1319098,
title = {Materials Data on ZnSbF5 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnSbF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Zn–F bond distances ranging from 1.39–2.71 Å. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.79–2.86 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 1-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–2.73 Å. In the second Sb3+ site, Sb3+ is bonded in a 2-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.63–2.27 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in an L-shaped geometry to one Zn2+, one Sb3+, and one F1- atom. The F–F bond length is 2.19 Å. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Zn2+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Zn2+ and one F1- atom. The F–F bond length is 2.61 Å. In the fifth F1- site, F1- is bonded in a 5-coordinate geometry to one Zn2+, one Sb3+, and three F1- atoms. The F–F bond length is 2.27 Å. In the sixth F1- site, F1- is bonded in an L-shaped geometry to one Zn2+ and one Sb3+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ and one F1- atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to one Zn2+ and one Sb3+ atom. In the ninth F1- site, F1- is bonded in a distorted linear geometry to one Zn2+ and one Sb3+ atom. In the tenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one Sb3+ atom.},
doi = {10.17188/1319098},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}