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Title: Materials Data on BiCO3 by Materials Project

Abstract

CBiO3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two CBiO3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–3.08 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.28–2.64 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and two Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and two Bi3+more » atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one C3+ and two equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C3+ and two equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Bi3+ atom.« less

Publication Date:
Other Number(s):
mp-1178485
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; BiCO3; Bi-C-O
OSTI Identifier:
1652353
DOI:
https://doi.org/10.17188/1652353

Citation Formats

The Materials Project. Materials Data on BiCO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652353.
The Materials Project. Materials Data on BiCO3 by Materials Project. United States. doi:https://doi.org/10.17188/1652353
The Materials Project. 2020. "Materials Data on BiCO3 by Materials Project". United States. doi:https://doi.org/10.17188/1652353. https://www.osti.gov/servlets/purl/1652353. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1652353,
title = {Materials Data on BiCO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CBiO3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two CBiO3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–3.08 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.28–2.64 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and two Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and two Bi3+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one C3+ and two equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C3+ and two equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Bi3+ atom.},
doi = {10.17188/1652353},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}