Materials Data on Ba(NdSe2)2 by Materials Project
Abstract
Ba(NdSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ba2+ is bonded to eight equivalent Se2- atoms to form distorted BaSe8 hexagonal bipyramids that share corners with eight equivalent NdSe8 hexagonal bipyramids, edges with four equivalent BaSe8 hexagonal bipyramids, and faces with eight equivalent NdSe8 hexagonal bipyramids. There are four shorter (3.21 Å) and four longer (3.36 Å) Ba–Se bond lengths. Nd3+ is bonded to eight equivalent Se2- atoms to form distorted NdSe8 hexagonal bipyramids that share corners with four equivalent BaSe8 hexagonal bipyramids, corners with four equivalent NdSe8 hexagonal bipyramids, edges with four equivalent NdSe8 hexagonal bipyramids, faces with four equivalent BaSe8 hexagonal bipyramids, and faces with four equivalent NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.99–3.35 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Ba2+ and four equivalent Nd3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-36007
- 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(NdSe2)2; Ba-Nd-Se
- OSTI Identifier:
- 1207113
- DOI:
- https://doi.org/10.17188/1207113
Citation Formats
The Materials Project. Materials Data on Ba(NdSe2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207113.
The Materials Project. Materials Data on Ba(NdSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1207113
The Materials Project. 2020.
"Materials Data on Ba(NdSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1207113. https://www.osti.gov/servlets/purl/1207113. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1207113,
title = {Materials Data on Ba(NdSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(NdSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ba2+ is bonded to eight equivalent Se2- atoms to form distorted BaSe8 hexagonal bipyramids that share corners with eight equivalent NdSe8 hexagonal bipyramids, edges with four equivalent BaSe8 hexagonal bipyramids, and faces with eight equivalent NdSe8 hexagonal bipyramids. There are four shorter (3.21 Å) and four longer (3.36 Å) Ba–Se bond lengths. Nd3+ is bonded to eight equivalent Se2- atoms to form distorted NdSe8 hexagonal bipyramids that share corners with four equivalent BaSe8 hexagonal bipyramids, corners with four equivalent NdSe8 hexagonal bipyramids, edges with four equivalent NdSe8 hexagonal bipyramids, faces with four equivalent BaSe8 hexagonal bipyramids, and faces with four equivalent NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.99–3.35 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Ba2+ and four equivalent Nd3+ atoms.},
doi = {10.17188/1207113},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}