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Title: Materials Data on La6MnSb15 by Materials Project

Abstract

La6MnSb15 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.29–3.53 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.28–3.52 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to ten Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.26–3.81 Å. Mn2+ is bonded in a 6-coordinate geometry to six Sb+1.33- atoms. There are a spread of Mn–Sb bond distances ranging from 2.61–2.82 Å. There are ten inequivalent Sb+1.33- sites. In the first Sb+1.33- site, Sb+1.33- is bonded in a distorted water-like geometry to two equivalent La3+, two equivalent Mn2+, and one Sb+1.33- atom. The Sb–Sb bond length is 3.10 Å. In the second Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to two equivalent La3+ and five Sb+1.33- atoms. All Sb–Sb bond lengths are 3.14 Å. In the third Sb+1.33- site, Sb+1.33- is bonded in a 8-coordinatemore » geometry to four La3+ and four Sb+1.33- atoms. There are two shorter (3.08 Å) and two longer (3.10 Å) Sb–Sb bond lengths. In the fourth Sb+1.33- site, Sb+1.33- is bonded in a 8-coordinate geometry to four La3+ and four Sb+1.33- atoms. Both Sb–Sb bond lengths are 3.00 Å. In the fifth Sb+1.33- site, Sb+1.33- is bonded in a 1-coordinate geometry to three La3+, one Mn2+, and two equivalent Sb+1.33- atoms. In the sixth Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to three La3+ and four Sb+1.33- atoms. In the seventh Sb+1.33- site, Sb+1.33- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Mn2+ atoms. In the eighth Sb+1.33- site, Sb+1.33- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Sb+1.33- atoms. There are one shorter (3.00 Å) and one longer (3.06 Å) Sb–Sb bond lengths. In the ninth Sb+1.33- site, Sb+1.33- is bonded to six La3+ atoms to form distorted face-sharing SbLa6 pentagonal pyramids. In the tenth Sb+1.33- site, Sb+1.33- is bonded in a 4-coordinate geometry to four La3+ and two equivalent Sb+1.33- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1223337
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; La6MnSb15; La-Mn-Sb
OSTI Identifier:
1689753
DOI:
https://doi.org/10.17188/1689753

Citation Formats

The Materials Project. Materials Data on La6MnSb15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689753.
The Materials Project. Materials Data on La6MnSb15 by Materials Project. United States. doi:https://doi.org/10.17188/1689753
The Materials Project. 2020. "Materials Data on La6MnSb15 by Materials Project". United States. doi:https://doi.org/10.17188/1689753. https://www.osti.gov/servlets/purl/1689753. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689753,
title = {Materials Data on La6MnSb15 by Materials Project},
author = {The Materials Project},
abstractNote = {La6MnSb15 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.29–3.53 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.28–3.52 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to ten Sb+1.33- atoms. There are a spread of La–Sb bond distances ranging from 3.26–3.81 Å. Mn2+ is bonded in a 6-coordinate geometry to six Sb+1.33- atoms. There are a spread of Mn–Sb bond distances ranging from 2.61–2.82 Å. There are ten inequivalent Sb+1.33- sites. In the first Sb+1.33- site, Sb+1.33- is bonded in a distorted water-like geometry to two equivalent La3+, two equivalent Mn2+, and one Sb+1.33- atom. The Sb–Sb bond length is 3.10 Å. In the second Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to two equivalent La3+ and five Sb+1.33- atoms. All Sb–Sb bond lengths are 3.14 Å. In the third Sb+1.33- site, Sb+1.33- is bonded in a 8-coordinate geometry to four La3+ and four Sb+1.33- atoms. There are two shorter (3.08 Å) and two longer (3.10 Å) Sb–Sb bond lengths. In the fourth Sb+1.33- site, Sb+1.33- is bonded in a 8-coordinate geometry to four La3+ and four Sb+1.33- atoms. Both Sb–Sb bond lengths are 3.00 Å. In the fifth Sb+1.33- site, Sb+1.33- is bonded in a 1-coordinate geometry to three La3+, one Mn2+, and two equivalent Sb+1.33- atoms. In the sixth Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to three La3+ and four Sb+1.33- atoms. In the seventh Sb+1.33- site, Sb+1.33- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Mn2+ atoms. In the eighth Sb+1.33- site, Sb+1.33- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Sb+1.33- atoms. There are one shorter (3.00 Å) and one longer (3.06 Å) Sb–Sb bond lengths. In the ninth Sb+1.33- site, Sb+1.33- is bonded to six La3+ atoms to form distorted face-sharing SbLa6 pentagonal pyramids. In the tenth Sb+1.33- site, Sb+1.33- is bonded in a 4-coordinate geometry to four La3+ and two equivalent Sb+1.33- atoms.},
doi = {10.17188/1689753},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}