Materials Data on Cs2YInF6 by Materials Project
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https://www.osti.gov/servlets/purl/1754139/
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资源简介：
Cs2YInF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent YF6 octahedra, and faces with four equivalent InF6 octahedra. All Cs–F bond lengths are 3.46 Å. Y3+ is bonded to six equivalent F1- atoms to form YF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–F bond lengths are 2.20 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent YF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.68 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Y3+, and one In1+ atom.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
