Materials Data on ZnSb2O5 by Materials Project
Abstract
ZnSb2O5 is Antimony trioxide-derived structured and 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 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.92–2.35 Å. In the second Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.88–1.94 Å. There are four inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded to five O2- atoms to form distorted SbO5 trigonal bipyramids that share corners with three SbO5 trigonal bipyramids and corners with two equivalent SbO4 trigonal pyramids. There are a spread of Sb–O bond distances ranging from 1.88–2.07 Å. In the second Sb4+ site, Sb4+ is bonded to four O2- atoms to form SbO4 trigonal pyramids that share corners with two equivalent SbO5 trigonal bipyramids and corners with two equivalent SbO4 trigonal pyramids. There are a spread of Sb–O bond distances ranging from 1.92–2.51 Å. In the third Sb4+ site, Sb4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–Omore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-4594
- 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; ZnSb2O5; O-Sb-Zn
- OSTI Identifier:
- 1321077
- DOI:
- https://doi.org/10.17188/1321077
Citation Formats
The Materials Project. Materials Data on ZnSb2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321077.
The Materials Project. Materials Data on ZnSb2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1321077
The Materials Project. 2020.
"Materials Data on ZnSb2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1321077. https://www.osti.gov/servlets/purl/1321077. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1321077,
title = {Materials Data on ZnSb2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnSb2O5 is Antimony trioxide-derived structured and 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 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.92–2.35 Å. In the second Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.88–1.94 Å. There are four inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded to five O2- atoms to form distorted SbO5 trigonal bipyramids that share corners with three SbO5 trigonal bipyramids and corners with two equivalent SbO4 trigonal pyramids. There are a spread of Sb–O bond distances ranging from 1.88–2.07 Å. In the second Sb4+ site, Sb4+ is bonded to four O2- atoms to form SbO4 trigonal pyramids that share corners with two equivalent SbO5 trigonal bipyramids and corners with two equivalent SbO4 trigonal pyramids. There are a spread of Sb–O bond distances ranging from 1.92–2.51 Å. In the third Sb4+ site, Sb4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 1.91–2.44 Å. In the fourth Sb4+ site, Sb4+ is bonded to five O2- atoms to form distorted corner-sharing SbO5 trigonal bipyramids. There are a spread of Sb–O bond distances ranging from 1.89–2.20 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Sb4+ atoms. In the second O2- site, O2- is bonded to two equivalent Zn2+ and two Sb4+ atoms to form distorted corner-sharing OZn2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Zn2+ and two equivalent Sb4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb4+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one Sb4+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one Sb4+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one Sb4+ atom. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one Sb4+ atom.},
doi = {10.17188/1321077},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}