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

Title: Materials Data on Bi2Se2Cl7 by Materials Project

Abstract

Bi2Cl7(Se)2 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of eight selenium molecules and one Bi2Cl7 sheet oriented in the (0, 0, 1) direction. In the Bi2Cl7 sheet, Bi+2.50+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.63–3.37 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Bi+2.50+ atom. In the second Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent Bi+2.50+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted tetrahedral geometry to four equivalent Bi+2.50+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted water-like geometry to three equivalent Bi+2.50+ atoms. In the fifth Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Bi+2.50+ atoms.

Publication Date:
Other Number(s):
mp-29843
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; Bi2Se2Cl7; Bi-Cl-Se
OSTI Identifier:
1204291
DOI:
https://doi.org/10.17188/1204291

Citation Formats

The Materials Project. Materials Data on Bi2Se2Cl7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204291.
The Materials Project. Materials Data on Bi2Se2Cl7 by Materials Project. United States. doi:https://doi.org/10.17188/1204291
The Materials Project. 2020. "Materials Data on Bi2Se2Cl7 by Materials Project". United States. doi:https://doi.org/10.17188/1204291. https://www.osti.gov/servlets/purl/1204291. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204291,
title = {Materials Data on Bi2Se2Cl7 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2Cl7(Se)2 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of eight selenium molecules and one Bi2Cl7 sheet oriented in the (0, 0, 1) direction. In the Bi2Cl7 sheet, Bi+2.50+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.63–3.37 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Bi+2.50+ atom. In the second Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent Bi+2.50+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted tetrahedral geometry to four equivalent Bi+2.50+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted water-like geometry to three equivalent Bi+2.50+ atoms. In the fifth Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Bi+2.50+ atoms.},
doi = {10.17188/1204291},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}