Materials Data on Nd4Br9 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1275760
- Report Number(s):
- mp-570534
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Sm5Br11 by Materials Project
Materials Data on Nd10Si10BrN17O9 by Materials Project