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Title: Materials Data on SiBO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313920· OSTI ID:1313920

BOSiO2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. B is bonded to six equivalent O atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent SiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.67 Å. Si is bonded to twelve equivalent O atoms to form SiO12 cuboctahedra that share corners with twelve equivalent SiO12 cuboctahedra, faces with six equivalent SiO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Si–O bond lengths are 2.36 Å. O is bonded in a distorted linear geometry to two equivalent B and four equivalent Si atoms.

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:
1313920
Report Number(s):
mp-972822
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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