Materials Data on MnCO3 by Materials Project
Abstract
MnCO3 is Calcite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Mn–O bond distances ranging from 2.19–2.26 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one C4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn2+ and one C4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1078473
- 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; MnCO3; C-Mn-O
- OSTI Identifier:
- 1753356
- DOI:
- https://doi.org/10.17188/1753356
Citation Formats
The Materials Project. Materials Data on MnCO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1753356.
The Materials Project. Materials Data on MnCO3 by Materials Project. United States. doi:https://doi.org/10.17188/1753356
The Materials Project. 2020.
"Materials Data on MnCO3 by Materials Project". United States. doi:https://doi.org/10.17188/1753356. https://www.osti.gov/servlets/purl/1753356. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1753356,
title = {Materials Data on MnCO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MnCO3 is Calcite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Mn–O bond distances ranging from 2.19–2.26 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one C4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn2+ and one C4+ atom.},
doi = {10.17188/1753356},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Apr 26 00:00:00 EDT 2020},
month = {Sun Apr 26 00:00:00 EDT 2020}
}
Works referenced in this record:
Structure, composition, morphology, photoluminescence and cathodoluminescence properties of ZnGeN2 and ZnGeN2:Mn2+ for field emission displays
journal, December 2010
- Zhang, Q. -H.; Wang, J.; Yeh, C. -W.
- Acta Materialia, Vol. 58, Issue 20
Growth and characterization of Mn-doped In2O3 nanowires and terraced microstructures
journal, August 2014
- Herrera, M.; Cremades, A.; Maestre, D.
- Acta Materialia, Vol. 75