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Title: Materials Data on Mn(CO3)2 by Materials Project

Abstract

Mn(CO3)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four Mn(CO3)2 ribbons oriented in the (1, 0, 0) direction. Mn4+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Mn–O bond distances ranging from 1.59–2.04 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.32 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mn4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn4+ and one C4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom.more » In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn4+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Mn4+ atom.« less

Publication Date:
Other Number(s):
mp-1180476
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mn(CO3)2; C-Mn-O
OSTI Identifier:
1727159
DOI:
https://doi.org/10.17188/1727159

Citation Formats

The Materials Project. Materials Data on Mn(CO3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1727159.
The Materials Project. Materials Data on Mn(CO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1727159
The Materials Project. 2019. "Materials Data on Mn(CO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1727159. https://www.osti.gov/servlets/purl/1727159. Pub date:Tue Nov 05 00:00:00 EST 2019
@article{osti_1727159,
title = {Materials Data on Mn(CO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(CO3)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four Mn(CO3)2 ribbons oriented in the (1, 0, 0) direction. Mn4+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Mn–O bond distances ranging from 1.59–2.04 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.32 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mn4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn4+ and one C4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn4+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Mn4+ atom.},
doi = {10.17188/1727159},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {11}
}