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Title: Materials Data on KPtO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314656· OSTI ID:1314656

KPtO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent PtO6 octahedra. All K–O bond lengths are 2.86 Å. Pt5+ is bonded to six equivalent O2- atoms to form PtO6 octahedra that share corners with six equivalent PtO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 2.02 Å. O2- is bonded to four equivalent K1+ and two equivalent Pt5+ atoms to form a mixture of distorted edge, face, and corner-sharing OK4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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:
1314656
Report Number(s):
mp-974842
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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