Materials Data on NaCaH6Ir by Materials Project
收藏DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1753279/
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资源简介：
NaCaIrH6 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent H1- atoms to form NaH12 cuboctahedra that share corners with twelve equivalent NaH12 cuboctahedra, faces with six equivalent CaH12 cuboctahedra, and faces with four equivalent IrH6 octahedra. All Na–H bond lengths are 2.56 Å. Ca2+ is bonded to twelve equivalent H1- atoms to form CaH12 cuboctahedra that share corners with twelve equivalent CaH12 cuboctahedra, faces with six equivalent NaH12 cuboctahedra, and faces with four equivalent IrH6 octahedra. All Ca–H bond lengths are 2.56 Å. Ir3+ is bonded to six equivalent H1- atoms to form IrH6 octahedra that share faces with four equivalent NaH12 cuboctahedra and faces with four equivalent CaH12 cuboctahedra. All Ir–H bond lengths are 1.68 Å. H1- is bonded to two equivalent Na1+, two equivalent Ca2+, and one Ir3+ atom to form a mixture of edge, corner, and face-sharing HNa2Ca2Ir square pyramids.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
