U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlCu2AsO12 by Materials Project
Abstract
Cu2AlAsO10O2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Cu2AlAsO10 framework. In the Cu2AlAsO10 framework, Cu is bonded in a rectangular see-saw-like geometry to five O atoms. There are a spread of Cu–O bond distances ranging from 1.80–2.70 Å. Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent AsO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.81–2.34 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with two equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There is two shorter (1.70 Å) and two longer (1.76 Å) As–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one Cu and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Al and one As atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cu and one As atom. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1182967
- 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; AlCu2AsO12; Al-As-Cu-O
- OSTI Identifier:
- 1748893
- DOI:
- https://doi.org/10.17188/1748893
Citation Formats
The Materials Project. Materials Data on AlCu2AsO12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748893.
The Materials Project. Materials Data on AlCu2AsO12 by Materials Project. United States. doi:https://doi.org/10.17188/1748893
The Materials Project. 2020.
"Materials Data on AlCu2AsO12 by Materials Project". United States. doi:https://doi.org/10.17188/1748893. https://www.osti.gov/servlets/purl/1748893. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1748893,
title = {Materials Data on AlCu2AsO12 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2AlAsO10O2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Cu2AlAsO10 framework. In the Cu2AlAsO10 framework, Cu is bonded in a rectangular see-saw-like geometry to five O atoms. There are a spread of Cu–O bond distances ranging from 1.80–2.70 Å. Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent AsO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.81–2.34 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with two equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There is two shorter (1.70 Å) and two longer (1.76 Å) As–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one Cu and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Al and one As atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cu and one As atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Cu, one Al, and one O atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Cu and one Al atom.},
doi = {10.17188/1748893},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}