U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ni8Bi8S by Materials Project
Abstract
Ni8Bi8S crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two Ni8Bi8S ribbons oriented in the (1, 0, 0) direction. there are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted single-bond geometry to four Bi and one S atom. There are a spread of Ni–Bi bond distances ranging from 2.71–2.75 Å. The Ni–S bond length is 2.26 Å. In the second Ni site, Ni is bonded in a distorted single-bond geometry to four Bi and one S atom. There are a spread of Ni–Bi bond distances ranging from 2.71–2.77 Å. The Ni–S bond length is 2.21 Å. In the third Ni site, Ni is bonded in a distorted single-bond geometry to four Bi and one S atom. There are one shorter (2.72 Å) and three longer (2.73 Å) Ni–Bi bond lengths. The Ni–S bond length is 2.32 Å. In the fourth Ni site, Ni is bonded in a distorted single-bond geometry to four Bi and one S atom. There are a spread of Ni–Bi bond distances ranging from 2.70–2.75 Å. The Ni–S bond length is 2.25 Å. There are four inequivalent Bi sites. In the first Bi site,more »
- Publication Date:
- Other Number(s):
- mp-1220141
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Bi-Ni-S; Ni8Bi8S; crystal structure
- OSTI Identifier:
- 1651896
- DOI:
- https://doi.org/10.17188/1651896
Citation Formats
Materials Data on Ni8Bi8S by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651896.
Materials Data on Ni8Bi8S by Materials Project. United States. doi:https://doi.org/10.17188/1651896
2020.
"Materials Data on Ni8Bi8S by Materials Project". United States. doi:https://doi.org/10.17188/1651896. https://www.osti.gov/servlets/purl/1651896. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1651896,
title = {Materials Data on Ni8Bi8S by Materials Project},
abstractNote = {Ni8Bi8S crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two Ni8Bi8S ribbons oriented in the (1, 0, 0) direction. there are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted single-bond geometry to four Bi and one S atom. There are a spread of Ni–Bi bond distances ranging from 2.71–2.75 Å. The Ni–S bond length is 2.26 Å. In the second Ni site, Ni is bonded in a distorted single-bond geometry to four Bi and one S atom. There are a spread of Ni–Bi bond distances ranging from 2.71–2.77 Å. The Ni–S bond length is 2.21 Å. In the third Ni site, Ni is bonded in a distorted single-bond geometry to four Bi and one S atom. There are one shorter (2.72 Å) and three longer (2.73 Å) Ni–Bi bond lengths. The Ni–S bond length is 2.32 Å. In the fourth Ni site, Ni is bonded in a distorted single-bond geometry to four Bi and one S atom. There are a spread of Ni–Bi bond distances ranging from 2.70–2.75 Å. The Ni–S bond length is 2.25 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four Ni atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four Ni atoms. In the third Bi site, Bi is bonded in a 4-coordinate geometry to four Ni atoms. In the fourth Bi site, Bi is bonded in a 4-coordinate geometry to four Ni atoms. S is bonded in a 8-coordinate geometry to eight Ni atoms.},
doi = {10.17188/1651896},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}