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Title: Materials Data on MgO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201070· OSTI ID:1201070

MgO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with twelve equivalent MgO6 octahedra and corners with six equivalent OMg3O tetrahedra. The corner-sharing octahedral tilt angles are 69°. All Mg–O bond lengths are 2.11 Å. O is bonded to three equivalent Mg and one O atom to form OMg3O tetrahedra that share corners with three equivalent MgO6 octahedra and corners with fifteen equivalent OMg3O tetrahedra. The corner-sharing octahedral tilt angles are 72°. The O–O bond length is 1.51 Å.

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:
1201070
Report Number(s):
mp-2589
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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