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Title: Materials Data on BaCO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1741140· OSTI ID:1741140

BaCO3 is Calcite-like structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BaO6 pentagonal pyramids. All Ba–O bond lengths are 2.74 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 two equivalent Ba2+ and one C4+ atom.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1741140
Report Number(s):
mp-1227982
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

References (2)

Characterization of a new SO2−4-stabilized phase of BaCO3 journal July 1987
Synthesis, Crystal Structure, and Electrical Properties of a New Quaternary Manganese Mixed Sulfide, BaLa2MnS5 journal September 1999

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