Materials Data on Nd(NiAs)2 by Materials Project
Abstract
Nd(NiAs)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (3.18 Å) and four longer (3.19 Å) Nd–As bond lengths. There are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.43 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded in a 5-coordinate geometry to five As3- atoms. All Ni–As bond lengths are 2.39 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to four equivalent Nd3+ and five Ni+1.50+ atoms. In the second As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent Ni+1.50+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-20836
- 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; Nd(NiAs)2; As-Nd-Ni
- OSTI Identifier:
- 1196036
- DOI:
- https://doi.org/10.17188/1196036
Citation Formats
The Materials Project. Materials Data on Nd(NiAs)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1196036.
The Materials Project. Materials Data on Nd(NiAs)2 by Materials Project. United States. doi:https://doi.org/10.17188/1196036
The Materials Project. 2020.
"Materials Data on Nd(NiAs)2 by Materials Project". United States. doi:https://doi.org/10.17188/1196036. https://www.osti.gov/servlets/purl/1196036. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1196036,
title = {Materials Data on Nd(NiAs)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd(NiAs)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (3.18 Å) and four longer (3.19 Å) Nd–As bond lengths. There are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.43 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded in a 5-coordinate geometry to five As3- atoms. All Ni–As bond lengths are 2.39 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to four equivalent Nd3+ and five Ni+1.50+ atoms. In the second As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent Ni+1.50+ atoms.},
doi = {10.17188/1196036},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}