Materials Data on La3As2BrO7 by Materials Project
Abstract
La3As2O7Br crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.41 Å) and four longer (2.49 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- and one Br1- atom. There are a spread of La–O bond distances ranging from 2.38–3.02 Å. The La–Br bond length is 3.14 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.79 Å) and two longer (1.83 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one As3+ atom. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form edge-sharing OLa4 tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one As3+ atom. Br1- is bonded in a 2-coordinate geometry to two equivalent La3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1203678
- 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; La3As2BrO7; As-Br-La-O
- OSTI Identifier:
- 1741866
- DOI:
- https://doi.org/10.17188/1741866
Citation Formats
The Materials Project. Materials Data on La3As2BrO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1741866.
The Materials Project. Materials Data on La3As2BrO7 by Materials Project. United States. doi:https://doi.org/10.17188/1741866
The Materials Project. 2020.
"Materials Data on La3As2BrO7 by Materials Project". United States. doi:https://doi.org/10.17188/1741866. https://www.osti.gov/servlets/purl/1741866. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1741866,
title = {Materials Data on La3As2BrO7 by Materials Project},
author = {The Materials Project},
abstractNote = {La3As2O7Br crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.41 Å) and four longer (2.49 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- and one Br1- atom. There are a spread of La–O bond distances ranging from 2.38–3.02 Å. The La–Br bond length is 3.14 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.79 Å) and two longer (1.83 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one As3+ atom. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form edge-sharing OLa4 tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and one As3+ atom. Br1- is bonded in a 2-coordinate geometry to two equivalent La3+ atoms.},
doi = {10.17188/1741866},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}