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Title: Materials Data on Hg4SbO6 by Materials Project

Abstract

Hg4SbO6 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Hg4SbO6 ribbon oriented in the (1, 1, 1) direction. there are four inequivalent Hg+1.75+ sites. In the first Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (1.89 Å) and one longer (2.77 Å) Hg–O bond lengths. In the second Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.10 Å) and one longer (2.13 Å) Hg–O bond lengths. In the third Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.10 Å) and one longer (2.14 Å) Hg–O bond lengths. In the fourth Hg+1.75+ site, Hg+1.75+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (1.88 Å) and one longer (2.77 Å) Hg–O bond lengths. Sb5+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.68–1.96 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Hg+1.75+ and one Sb5+more » atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to two Hg+1.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted L-shaped geometry to two Hg+1.75+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Hg+1.75+ and one Sb5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1206653
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; Hg4SbO6; Hg-O-Sb
OSTI Identifier:
1666876
DOI:
https://doi.org/10.17188/1666876

Citation Formats

The Materials Project. Materials Data on Hg4SbO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1666876.
The Materials Project. Materials Data on Hg4SbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1666876
The Materials Project. 2019. "Materials Data on Hg4SbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1666876. https://www.osti.gov/servlets/purl/1666876. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1666876,
title = {Materials Data on Hg4SbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg4SbO6 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Hg4SbO6 ribbon oriented in the (1, 1, 1) direction. there are four inequivalent Hg+1.75+ sites. In the first Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (1.89 Å) and one longer (2.77 Å) Hg–O bond lengths. In the second Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.10 Å) and one longer (2.13 Å) Hg–O bond lengths. In the third Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.10 Å) and one longer (2.14 Å) Hg–O bond lengths. In the fourth Hg+1.75+ site, Hg+1.75+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (1.88 Å) and one longer (2.77 Å) Hg–O bond lengths. Sb5+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.68–1.96 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Hg+1.75+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to two Hg+1.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted L-shaped geometry to two Hg+1.75+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Hg+1.75+ and one Sb5+ atom.},
doi = {10.17188/1666876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}