Materials Data on CaMg(CO3)2 by Materials Project
Abstract
CaMg(CO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ca–O bond lengths are 2.41 Å. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Mg–O bond lengths are 2.12 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Mg2+, and one C4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-6459
- 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; CaMg(CO3)2; C-Ca-Mg-O
- OSTI Identifier:
- 1280589
- DOI:
- https://doi.org/10.17188/1280589
Citation Formats
The Materials Project. Materials Data on CaMg(CO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280589.
The Materials Project. Materials Data on CaMg(CO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1280589
The Materials Project. 2020.
"Materials Data on CaMg(CO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1280589. https://www.osti.gov/servlets/purl/1280589. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280589,
title = {Materials Data on CaMg(CO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaMg(CO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ca–O bond lengths are 2.41 Å. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Mg–O bond lengths are 2.12 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Mg2+, and one C4+ atom.},
doi = {10.17188/1280589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}