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Title: Materials Data on SbHC2O5 by Materials Project

Abstract

Sb(COO)2(OH) crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.29 Å) C–O bond length. Sb3+ is bonded to six O2- atoms to form distorted corner-sharing SbO6 pentagonal pyramids. There are a spread of Sb–O bond distances ranging from 2.02–2.49 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom. In the fourth O2- site, O2- is bondedmore » in a distorted single-bond geometry to two equivalent Sb3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1219550
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; SbHC2O5; C-H-O-Sb
OSTI Identifier:
1740382
DOI:
https://doi.org/10.17188/1740382

Citation Formats

The Materials Project. Materials Data on SbHC2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740382.
The Materials Project. Materials Data on SbHC2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1740382
The Materials Project. 2020. "Materials Data on SbHC2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1740382. https://www.osti.gov/servlets/purl/1740382. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1740382,
title = {Materials Data on SbHC2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb(COO)2(OH) crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.29 Å) C–O bond length. Sb3+ is bonded to six O2- atoms to form distorted corner-sharing SbO6 pentagonal pyramids. There are a spread of Sb–O bond distances ranging from 2.02–2.49 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sb3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom.},
doi = {10.17188/1740382},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}