Materials Data on Ba(SiNi)2 by Materials Project
Abstract
Ba(NiSi)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (3.34 Å) and two longer (3.47 Å) Ba–Si bond lengths. Ni3+ is bonded to four equivalent Si4- atoms to form a mixture of distorted corner and edge-sharing NiSi4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.30 Å) Ni–Si bond lengths. Si4- is bonded in a 5-coordinate geometry to two equivalent Ba2+, four equivalent Ni3+, and one Si4- atom. The Si–Si bond length is 2.53 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-27388
- 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; Ba(SiNi)2; Ba-Ni-Si
- OSTI Identifier:
- 1201606
- DOI:
- https://doi.org/10.17188/1201606
Citation Formats
The Materials Project. Materials Data on Ba(SiNi)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201606.
The Materials Project. Materials Data on Ba(SiNi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1201606
The Materials Project. 2020.
"Materials Data on Ba(SiNi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1201606. https://www.osti.gov/servlets/purl/1201606. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1201606,
title = {Materials Data on Ba(SiNi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(NiSi)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (3.34 Å) and two longer (3.47 Å) Ba–Si bond lengths. Ni3+ is bonded to four equivalent Si4- atoms to form a mixture of distorted corner and edge-sharing NiSi4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.30 Å) Ni–Si bond lengths. Si4- is bonded in a 5-coordinate geometry to two equivalent Ba2+, four equivalent Ni3+, and one Si4- atom. The Si–Si bond length is 2.53 Å.},
doi = {10.17188/1201606},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}
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