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

Title: Materials Data on CdBiClO2 by Materials Project

Abstract

CdBiO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one CdBiO2Cl sheet oriented in the (1, 0, 0) direction. Cd2+ is bonded in a 5-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cd–O bond distances ranging from 2.28–2.47 Å. The Cd–Cl bond length is 2.54 Å. Bi3+ is bonded in a 7-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Cd2+ and one Bi3+ atom to form a mixture of corner and edge-sharing OCd3Bi tetrahedra. In the second O2- site, O2- is bonded to one Cd2+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OCdBi3 tetrahedra. Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-550553
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; CdBiClO2; Bi-Cd-Cl-O
OSTI Identifier:
1267427
DOI:
10.17188/1267427

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CdBiClO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267427.
Persson, Kristin, & Project, Materials. Materials Data on CdBiClO2 by Materials Project. United States. doi:10.17188/1267427.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CdBiClO2 by Materials Project". United States. doi:10.17188/1267427. https://www.osti.gov/servlets/purl/1267427. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267427,
title = {Materials Data on CdBiClO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CdBiO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one CdBiO2Cl sheet oriented in the (1, 0, 0) direction. Cd2+ is bonded in a 5-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cd–O bond distances ranging from 2.28–2.47 Å. The Cd–Cl bond length is 2.54 Å. Bi3+ is bonded in a 7-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Cd2+ and one Bi3+ atom to form a mixture of corner and edge-sharing OCd3Bi tetrahedra. In the second O2- site, O2- is bonded to one Cd2+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OCdBi3 tetrahedra. Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom.},
doi = {10.17188/1267427},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: