U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca3Mg2(AsO4)3 by Materials Project
Abstract
Ca3Mg2(AsO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.43 Å) and four longer (2.56 Å) Ca–O bond lengths. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent AsO4 tetrahedra. All Mg–O bond lengths are 2.12 Å. As is bonded to four equivalent O atoms to form AsO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All As–O bond lengths are 1.77 Å. O is bonded to two equivalent Ca, one Mg, and one As atom to form a mixture of distorted edge and corner-sharing OCa2MgAs trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1214140
- 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; Ca3Mg2(AsO4)3; As-Ca-Mg-O
- OSTI Identifier:
- 1734231
- DOI:
- https://doi.org/10.17188/1734231
Citation Formats
The Materials Project. Materials Data on Ca3Mg2(AsO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1734231.
The Materials Project. Materials Data on Ca3Mg2(AsO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1734231
The Materials Project. 2020.
"Materials Data on Ca3Mg2(AsO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1734231. https://www.osti.gov/servlets/purl/1734231. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1734231,
title = {Materials Data on Ca3Mg2(AsO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3Mg2(AsO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.43 Å) and four longer (2.56 Å) Ca–O bond lengths. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent AsO4 tetrahedra. All Mg–O bond lengths are 2.12 Å. As is bonded to four equivalent O atoms to form AsO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All As–O bond lengths are 1.77 Å. O is bonded to two equivalent Ca, one Mg, and one As atom to form a mixture of distorted edge and corner-sharing OCa2MgAs trigonal pyramids.},
doi = {10.17188/1734231},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}