DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SiHg2(O2F3)2 by Materials Project

Abstract

Hg2Si(O2F3)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Hg2Si(O2F3)2 sheet oriented in the (-1, 1, 0) direction. there are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted linear geometry to two equivalent O and four F atoms. Both Hg–O bond lengths are 2.33 Å. There are two shorter (2.61 Å) and two longer (2.62 Å) Hg–F bond lengths. In the second Hg site, Hg is bonded in a square co-planar geometry to two equivalent O and two equivalent F atoms. Both Hg–O bond lengths are 2.36 Å. Both Hg–F bond lengths are 2.43 Å. Si is bonded in an octahedral geometry to six F atoms. There is two shorter (1.71 Å) and four longer (1.72 Å) Si–F bond length. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two O atoms. There is one shorter (1.31 Å) and one longer (1.81 Å) O–O bond length. In the second O site, O is bonded in a trigonal planar geometry to two Hg and one O atom. There are three inequivalent F sites. In the first Fmore » site, F is bonded in a single-bond geometry to one Hg and one Si atom. In the second F site, F is bonded in a distorted bent 120 degrees geometry to one Hg and one Si atom. In the third F site, F is bonded in a single-bond geometry to one Hg and one Si atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1103920
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; SiHg2(O2F3)2; F-Hg-O-Si
OSTI Identifier:
1717424
DOI:
https://doi.org/10.17188/1717424

Citation Formats

The Materials Project. Materials Data on SiHg2(O2F3)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1717424.
The Materials Project. Materials Data on SiHg2(O2F3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717424
The Materials Project. 2018. "Materials Data on SiHg2(O2F3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717424. https://www.osti.gov/servlets/purl/1717424. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1717424,
title = {Materials Data on SiHg2(O2F3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg2Si(O2F3)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Hg2Si(O2F3)2 sheet oriented in the (-1, 1, 0) direction. there are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted linear geometry to two equivalent O and four F atoms. Both Hg–O bond lengths are 2.33 Å. There are two shorter (2.61 Å) and two longer (2.62 Å) Hg–F bond lengths. In the second Hg site, Hg is bonded in a square co-planar geometry to two equivalent O and two equivalent F atoms. Both Hg–O bond lengths are 2.36 Å. Both Hg–F bond lengths are 2.43 Å. Si is bonded in an octahedral geometry to six F atoms. There is two shorter (1.71 Å) and four longer (1.72 Å) Si–F bond length. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two O atoms. There is one shorter (1.31 Å) and one longer (1.81 Å) O–O bond length. In the second O site, O is bonded in a trigonal planar geometry to two Hg and one O atom. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Hg and one Si atom. In the second F site, F is bonded in a distorted bent 120 degrees geometry to one Hg and one Si atom. In the third F site, F is bonded in a single-bond geometry to one Hg and one Si atom.},
doi = {10.17188/1717424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}