U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgCd3(CO3)4 by Materials Project
Abstract
MgCd3(CO3)4 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Mg–O bond lengths are 2.13 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six equivalent O2- atoms to form corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Cd–O bond lengths are 2.32 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with three equivalent MgO6 octahedra and corners with three equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 61–63°. There are three shorter (2.33 Å) and three longer (2.37 Å) Cd–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. There are twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222101
- 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; MgCd3(CO3)4; C-Cd-Mg-O
- OSTI Identifier:
- 1747758
- DOI:
- https://doi.org/10.17188/1747758
Citation Formats
The Materials Project. Materials Data on MgCd3(CO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1747758.
The Materials Project. Materials Data on MgCd3(CO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1747758
The Materials Project. 2020.
"Materials Data on MgCd3(CO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1747758. https://www.osti.gov/servlets/purl/1747758. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1747758,
title = {Materials Data on MgCd3(CO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgCd3(CO3)4 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Mg–O bond lengths are 2.13 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six equivalent O2- atoms to form corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Cd–O bond lengths are 2.32 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with three equivalent MgO6 octahedra and corners with three equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 61–63°. There are three shorter (2.33 Å) and three longer (2.37 Å) Cd–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+, one Cd2+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cd2+ and one C4+ atom.},
doi = {10.17188/1747758},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}