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Title: Materials Data on CaPt3O4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1290120· OSTI ID:1290120

CaPt3O4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ca–O bond lengths are 2.54 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.08 Å. O2- is bonded to two equivalent Ca2+ and three equivalent Pt2+ atoms to form a mixture of edge and corner-sharing OCa2Pt3 trigonal bipyramids.

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:
1290120
Report Number(s):
mp-755647
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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