Materials Data on Ca9La5Br33 by Materials Project

Kristin Persson
Ca9La5Br33 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are nine inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of Ca–Br bond distances ranging from 3.02–3.54 Å. In the second Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Ca–Br bond distances ranging from 3.02–3.65 Å. In...
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