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Title: Materials Data on Ba3SnO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1203623· OSTI ID:1203623

Ba3SnO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Sn and two equivalent O atoms. All Ba–Sn bond lengths are 3.91 Å. Both Ba–O bond lengths are 2.76 Å. Sn is bonded to twelve equivalent Ba atoms to form SnBa12 cuboctahedra that share corners with twelve equivalent SnBa12 cuboctahedra, faces with six equivalent SnBa12 cuboctahedra, and faces with eight equivalent OBa6 octahedra. O is bonded to six equivalent Ba atoms to form OBa6 octahedra that share corners with six equivalent OBa6 octahedra and faces with eight equivalent SnBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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:
1203623
Report Number(s):
mp-29243
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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