Materials Data on La21Fe8Bi7C12 by Materials Project
Abstract
La21Fe8C12Bi7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a distorted L-shaped geometry to two equivalent C and three Bi atoms. Both La–C bond lengths are 2.57 Å. There are two shorter (3.45 Å) and one longer (3.99 Å) La–Bi bond lengths. In the second La site, La is bonded in a 6-coordinate geometry to three equivalent C and three equivalent Bi atoms. All La–C bond lengths are 2.67 Å. All La–Bi bond lengths are 3.42 Å. In the third La site, La is bonded in an octahedral geometry to six equivalent Bi atoms. All La–Bi bond lengths are 3.45 Å. Fe is bonded in a trigonal planar geometry to three equivalent C atoms. All Fe–C bond lengths are 1.91 Å. C is bonded to four La and two equivalent Fe atoms to form distorted CLa4Fe2 octahedra that share corners with two equivalent BiLa12 cuboctahedra and edges with five equivalent CLa4Fe2 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine La atoms. In the second Bi site, Bi is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-647363
- 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; La21Fe8Bi7C12; Bi-C-Fe-La
- OSTI Identifier:
- 1280706
- DOI:
- https://doi.org/10.17188/1280706
Citation Formats
The Materials Project. Materials Data on La21Fe8Bi7C12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280706.
The Materials Project. Materials Data on La21Fe8Bi7C12 by Materials Project. United States. doi:https://doi.org/10.17188/1280706
The Materials Project. 2020.
"Materials Data on La21Fe8Bi7C12 by Materials Project". United States. doi:https://doi.org/10.17188/1280706. https://www.osti.gov/servlets/purl/1280706. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1280706,
title = {Materials Data on La21Fe8Bi7C12 by Materials Project},
author = {The Materials Project},
abstractNote = {La21Fe8C12Bi7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a distorted L-shaped geometry to two equivalent C and three Bi atoms. Both La–C bond lengths are 2.57 Å. There are two shorter (3.45 Å) and one longer (3.99 Å) La–Bi bond lengths. In the second La site, La is bonded in a 6-coordinate geometry to three equivalent C and three equivalent Bi atoms. All La–C bond lengths are 2.67 Å. All La–Bi bond lengths are 3.42 Å. In the third La site, La is bonded in an octahedral geometry to six equivalent Bi atoms. All La–Bi bond lengths are 3.45 Å. Fe is bonded in a trigonal planar geometry to three equivalent C atoms. All Fe–C bond lengths are 1.91 Å. C is bonded to four La and two equivalent Fe atoms to form distorted CLa4Fe2 octahedra that share corners with two equivalent BiLa12 cuboctahedra and edges with five equivalent CLa4Fe2 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine La atoms. In the second Bi site, Bi is bonded to twelve equivalent La atoms to form BiLa12 cuboctahedra that share corners with twenty-four equivalent CLa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 44°.},
doi = {10.17188/1280706},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}