Materials Data on Sm4Br6O by Materials Project
Abstract
Sm4OBr6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and seven Br1- atoms. The Sm–O bond length is 2.24 Å. There are a spread of Sm–Br bond distances ranging from 3.01–3.49 Å. In the second Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and six Br1- atoms. The Sm–O bond length is 2.39 Å. There are three shorter (3.16 Å) and three longer (3.25 Å) Sm–Br bond lengths. O2- is bonded in a trigonal pyramidal geometry to four Sm2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four Sm2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to five Sm2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-554768
- 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; Sm4Br6O; Br-O-Sm
- OSTI Identifier:
- 1268092
- DOI:
- https://doi.org/10.17188/1268092
Citation Formats
The Materials Project. Materials Data on Sm4Br6O by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1268092.
The Materials Project. Materials Data on Sm4Br6O by Materials Project. United States. doi:https://doi.org/10.17188/1268092
The Materials Project. 2017.
"Materials Data on Sm4Br6O by Materials Project". United States. doi:https://doi.org/10.17188/1268092. https://www.osti.gov/servlets/purl/1268092. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1268092,
title = {Materials Data on Sm4Br6O by Materials Project},
author = {The Materials Project},
abstractNote = {Sm4OBr6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and seven Br1- atoms. The Sm–O bond length is 2.24 Å. There are a spread of Sm–Br bond distances ranging from 3.01–3.49 Å. In the second Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and six Br1- atoms. The Sm–O bond length is 2.39 Å. There are three shorter (3.16 Å) and three longer (3.25 Å) Sm–Br bond lengths. O2- is bonded in a trigonal pyramidal geometry to four Sm2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four Sm2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to five Sm2+ atoms.},
doi = {10.17188/1268092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed May 10 00:00:00 EDT 2017},
month = {Wed May 10 00:00:00 EDT 2017}
}