Materials Data on Nd3Sb5Pd6 by Materials Project
Abstract
Nd3Pd6Sb5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to ten Pd and six Sb atoms. There are a spread of Nd–Pd bond distances ranging from 3.36–3.69 Å. There are two shorter (3.32 Å) and four longer (3.33 Å) Nd–Sb bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to eight Pd and six Sb atoms. There are a spread of Nd–Pd bond distances ranging from 3.28–3.62 Å. There are four shorter (3.32 Å) and two longer (3.37 Å) Nd–Sb bond lengths. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four Nd, two equivalent Pd, and four Sb atoms. Both Pd–Pd bond lengths are 3.13 Å. There are two shorter (2.70 Å) and two longer (2.73 Å) Pd–Sb bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to four Nd, four equivalent Pd, and four Sb atoms. There are two shorter (2.72 Å) and two longer (2.74 Å) Pd–Sb bond lengths. In the third Pd site, Pd ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-542565
- 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; Nd3Sb5Pd6; Nd-Pd-Sb
- OSTI Identifier:
- 1266577
- DOI:
- https://doi.org/10.17188/1266577
Citation Formats
The Materials Project. Materials Data on Nd3Sb5Pd6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266577.
The Materials Project. Materials Data on Nd3Sb5Pd6 by Materials Project. United States. doi:https://doi.org/10.17188/1266577
The Materials Project. 2020.
"Materials Data on Nd3Sb5Pd6 by Materials Project". United States. doi:https://doi.org/10.17188/1266577. https://www.osti.gov/servlets/purl/1266577. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1266577,
title = {Materials Data on Nd3Sb5Pd6 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3Pd6Sb5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to ten Pd and six Sb atoms. There are a spread of Nd–Pd bond distances ranging from 3.36–3.69 Å. There are two shorter (3.32 Å) and four longer (3.33 Å) Nd–Sb bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to eight Pd and six Sb atoms. There are a spread of Nd–Pd bond distances ranging from 3.28–3.62 Å. There are four shorter (3.32 Å) and two longer (3.37 Å) Nd–Sb bond lengths. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four Nd, two equivalent Pd, and four Sb atoms. Both Pd–Pd bond lengths are 3.13 Å. There are two shorter (2.70 Å) and two longer (2.73 Å) Pd–Sb bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to four Nd, four equivalent Pd, and four Sb atoms. There are two shorter (2.72 Å) and two longer (2.74 Å) Pd–Sb bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to five Nd, one Pd, and four Sb atoms. The Pd–Pd bond length is 2.81 Å. There are a spread of Pd–Sb bond distances ranging from 2.65–2.72 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to four Nd, two equivalent Pd, and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.83 Å. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to three Nd and five Pd atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to four Nd and five Pd atoms. In the third Sb site, Sb is bonded in a 8-coordinate geometry to four equivalent Nd and four Pd atoms.},
doi = {10.17188/1266577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}