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Title: Materials Data on Sm5Br11 by Materials Project

Abstract

Sm5Br11 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are six inequivalent Sm+2.20+ sites. In the first Sm+2.20+ site, Sm+2.20+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing SmBr7 pentagonal bipyramids. There are a spread of Sm–Br bond distances ranging from 2.97–3.11 Å. In the second Sm+2.20+ site, Sm+2.20+ is bonded in a 7-coordinate geometry to eight Br1- atoms. There are a spread of Sm–Br bond distances ranging from 2.95–3.65 Å. In the third Sm+2.20+ site, Sm+2.20+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sm–Br bond distances ranging from 2.90–3.11 Å. In the fourth Sm+2.20+ site, Sm+2.20+ is bonded in a 7-coordinate geometry to eight Br1- atoms. There are a spread of Sm–Br bond distances ranging from 2.95–3.62 Å. In the fifth Sm+2.20+ site, Sm+2.20+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sm–Br bond distances ranging from 2.91–3.14 Å. In the sixth Sm+2.20+ site, Sm+2.20+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing SmBr7 pentagonal bipyramids. There are a spread of Sm–Br bond distances ranging frommore » 2.97–3.09 Å. There are twelve inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four Sm+2.20+ atoms to form a mixture of distorted corner and edge-sharing BrSm4 trigonal pyramids. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to four Sm+2.20+ atoms. In the third Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Sm+2.20+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Sm+2.20+ atoms. In the fifth Br1- site, Br1- is bonded to four Sm+2.20+ atoms to form a mixture of distorted corner and edge-sharing BrSm4 tetrahedra. In the sixth Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to four Sm+2.20+ atoms. In the seventh Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Sm+2.20+ atoms. In the eighth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Sm+2.20+ atoms. In the ninth Br1- site, Br1- is bonded to four Sm+2.20+ atoms to form a mixture of distorted corner and edge-sharing BrSm4 tetrahedra. In the tenth Br1- site, Br1- is bonded to four Sm+2.20+ atoms to form a mixture of distorted corner and edge-sharing BrSm4 trigonal pyramids. In the eleventh Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Sm+2.20+ atoms. In the twelfth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Sm+2.20+ atoms.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1283571
Report Number(s):
mp-680266
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Sm5Br11; Br-Sm

Citation Formats

The Materials Project. Materials Data on Sm5Br11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283571.
The Materials Project. Materials Data on Sm5Br11 by Materials Project. United States. https://doi.org/10.17188/1283571
The Materials Project. 2020. "Materials Data on Sm5Br11 by Materials Project". United States. https://doi.org/10.17188/1283571. https://www.osti.gov/servlets/purl/1283571.
@article{osti_1283571,
title = {Materials Data on Sm5Br11 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm5Br11 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are six inequivalent Sm+2.20+ sites. In the first Sm+2.20+ site, Sm+2.20+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing SmBr7 pentagonal bipyramids. There are a spread of Sm–Br bond distances ranging from 2.97–3.11 Å. In the second Sm+2.20+ site, Sm+2.20+ is bonded in a 7-coordinate geometry to eight Br1- atoms. There are a spread of Sm–Br bond distances ranging from 2.95–3.65 Å. In the third Sm+2.20+ site, Sm+2.20+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sm–Br bond distances ranging from 2.90–3.11 Å. In the fourth Sm+2.20+ site, Sm+2.20+ is bonded in a 7-coordinate geometry to eight Br1- atoms. There are a spread of Sm–Br bond distances ranging from 2.95–3.62 Å. In the fifth Sm+2.20+ site, Sm+2.20+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sm–Br bond distances ranging from 2.91–3.14 Å. In the sixth Sm+2.20+ site, Sm+2.20+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing SmBr7 pentagonal bipyramids. There are a spread of Sm–Br bond distances ranging from 2.97–3.09 Å. There are twelve inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four Sm+2.20+ atoms to form a mixture of distorted corner and edge-sharing BrSm4 trigonal pyramids. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to four Sm+2.20+ atoms. In the third Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Sm+2.20+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Sm+2.20+ atoms. In the fifth Br1- site, Br1- is bonded to four Sm+2.20+ atoms to form a mixture of distorted corner and edge-sharing BrSm4 tetrahedra. In the sixth Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to four Sm+2.20+ atoms. In the seventh Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Sm+2.20+ atoms. In the eighth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Sm+2.20+ atoms. In the ninth Br1- site, Br1- is bonded to four Sm+2.20+ atoms to form a mixture of distorted corner and edge-sharing BrSm4 tetrahedra. In the tenth Br1- site, Br1- is bonded to four Sm+2.20+ atoms to form a mixture of distorted corner and edge-sharing BrSm4 trigonal pyramids. In the eleventh Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Sm+2.20+ atoms. In the twelfth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Sm+2.20+ atoms.},
doi = {10.17188/1283571},
url = {https://www.osti.gov/biblio/1283571}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}