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Title: Materials Data on Nd4Br9 by Materials Project

Abstract

Nd4Br9 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are eight inequivalent Nd+2.25+ sites. In the first Nd+2.25+ site, Nd+2.25+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing NdBr7 pentagonal bipyramids. There are a spread of Nd–Br bond distances ranging from 2.99–3.16 Å. In the second Nd+2.25+ site, Nd+2.25+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing NdBr7 pentagonal bipyramids. There are a spread of Nd–Br bond distances ranging from 3.00–3.16 Å. In the third Nd+2.25+ site, Nd+2.25+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.96–3.33 Å. In the fourth Nd+2.25+ site, Nd+2.25+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing NdBr7 pentagonal bipyramids. There are a spread of Nd–Br bond distances ranging from 3.00–3.13 Å. In the fifth Nd+2.25+ site, Nd+2.25+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing NdBr7 pentagonal bipyramids. There are a spread of Nd–Br bond distances ranging from 2.99–3.15 Å. In the sixth Nd+2.25+ site, Nd+2.25+ is bonded in amore » 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.95–3.34 Å. In the seventh Nd+2.25+ site, Nd+2.25+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.96–3.31 Å. In the eighth Nd+2.25+ site, Nd+2.25+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.96–3.30 Å. There are eighteen inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.25+ atoms. In the second Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids. In the third Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Nd+2.25+ atoms. In the fourth Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids. In the fifth Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids. In the sixth Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids. In the seventh Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd+2.25+ atoms. In the eighth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd+2.25+ atoms. In the ninth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd+2.25+ atoms. In the tenth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Nd+2.25+ atoms. In the eleventh Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids. In the twelfth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.25+ atoms. In the thirteenth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd+2.25+ atoms. In the fourteenth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Nd+2.25+ atoms. In the fifteenth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Nd+2.25+ atoms. In the sixteenth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.25+ atoms. In the seventeenth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.25+ atoms. In the eighteenth Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-570534
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nd4Br9; Br-Nd
OSTI Identifier:
1275760
DOI:
10.17188/1275760

Citation Formats

The Materials Project. Materials Data on Nd4Br9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275760.
The Materials Project. Materials Data on Nd4Br9 by Materials Project. United States. doi:10.17188/1275760.
The Materials Project. 2020. "Materials Data on Nd4Br9 by Materials Project". United States. doi:10.17188/1275760. https://www.osti.gov/servlets/purl/1275760. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1275760,
title = {Materials Data on Nd4Br9 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd4Br9 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are eight inequivalent Nd+2.25+ sites. In the first Nd+2.25+ site, Nd+2.25+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing NdBr7 pentagonal bipyramids. There are a spread of Nd–Br bond distances ranging from 2.99–3.16 Å. In the second Nd+2.25+ site, Nd+2.25+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing NdBr7 pentagonal bipyramids. There are a spread of Nd–Br bond distances ranging from 3.00–3.16 Å. In the third Nd+2.25+ site, Nd+2.25+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.96–3.33 Å. In the fourth Nd+2.25+ site, Nd+2.25+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing NdBr7 pentagonal bipyramids. There are a spread of Nd–Br bond distances ranging from 3.00–3.13 Å. In the fifth Nd+2.25+ site, Nd+2.25+ is bonded to seven Br1- atoms to form a mixture of distorted corner and edge-sharing NdBr7 pentagonal bipyramids. There are a spread of Nd–Br bond distances ranging from 2.99–3.15 Å. In the sixth Nd+2.25+ site, Nd+2.25+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.95–3.34 Å. In the seventh Nd+2.25+ site, Nd+2.25+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.96–3.31 Å. In the eighth Nd+2.25+ site, Nd+2.25+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.96–3.30 Å. There are eighteen inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.25+ atoms. In the second Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids. In the third Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Nd+2.25+ atoms. In the fourth Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids. In the fifth Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids. In the sixth Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids. In the seventh Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd+2.25+ atoms. In the eighth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd+2.25+ atoms. In the ninth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd+2.25+ atoms. In the tenth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Nd+2.25+ atoms. In the eleventh Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids. In the twelfth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.25+ atoms. In the thirteenth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Nd+2.25+ atoms. In the fourteenth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Nd+2.25+ atoms. In the fifteenth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to three Nd+2.25+ atoms. In the sixteenth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.25+ atoms. In the seventeenth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.25+ atoms. In the eighteenth Br1- site, Br1- is bonded to four Nd+2.25+ atoms to form a mixture of distorted corner and edge-sharing BrNd4 trigonal pyramids.},
doi = {10.17188/1275760},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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