U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ni4(Bi4I)3 by Materials Project
Abstract
Ni4(Bi4I)3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Ni4(Bi4I)3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Ni and seven Bi atoms. Both Ni–Ni bond lengths are 2.56 Å. There are a spread of Ni–Bi bond distances ranging from 2.73–2.83 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Ni and seven Bi atoms. There are a spread of Ni–Bi bond distances ranging from 2.70–2.81 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted single-bond geometry to one Ni atom. In the second Bi site, Bi is bonded in a 2-coordinate geometry to one Ni and one I atom. The Bi–I bond length is 3.50 Å. In the third Bi site, Bi is bonded in a 3-coordinate geometry to three Ni atoms. In the fourth Bi site, Bi is bonded in a 3-coordinate geometry to three Ni and one I atom. The Bi–I bond length is 3.61 Å. In the fifth Bi site, Bi ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-541751
- 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; Ni4(Bi4I)3; Bi-I-Ni
- OSTI Identifier:
- 1266053
- DOI:
- https://doi.org/10.17188/1266053
Citation Formats
The Materials Project. Materials Data on Ni4(Bi4I)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266053.
The Materials Project. Materials Data on Ni4(Bi4I)3 by Materials Project. United States. doi:https://doi.org/10.17188/1266053
The Materials Project. 2020.
"Materials Data on Ni4(Bi4I)3 by Materials Project". United States. doi:https://doi.org/10.17188/1266053. https://www.osti.gov/servlets/purl/1266053. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1266053,
title = {Materials Data on Ni4(Bi4I)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni4(Bi4I)3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Ni4(Bi4I)3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Ni and seven Bi atoms. Both Ni–Ni bond lengths are 2.56 Å. There are a spread of Ni–Bi bond distances ranging from 2.73–2.83 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Ni and seven Bi atoms. There are a spread of Ni–Bi bond distances ranging from 2.70–2.81 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted single-bond geometry to one Ni atom. In the second Bi site, Bi is bonded in a 2-coordinate geometry to one Ni and one I atom. The Bi–I bond length is 3.50 Å. In the third Bi site, Bi is bonded in a 3-coordinate geometry to three Ni atoms. In the fourth Bi site, Bi is bonded in a 3-coordinate geometry to three Ni and one I atom. The Bi–I bond length is 3.61 Å. In the fifth Bi site, Bi is bonded in a 4-coordinate geometry to three Ni and one I atom. The Bi–I bond length is 3.37 Å. In the sixth Bi site, Bi is bonded in a 3-coordinate geometry to three Ni atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted linear geometry to two Bi atoms. In the second I site, I is bonded in a distorted linear geometry to two equivalent Bi atoms.},
doi = {10.17188/1266053},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}