Materials Data on Ca3Sm by Materials Project
Ca3Sm is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent Sm atoms. All Ca–Ca bond lengths are 3.69 Å. All Ca–Sm bond lengths are 3.69 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight equivalent Ca and six equivalent Sm atoms. All Ca–Sm bond lengths are 4.26 Å. Sm is bonded in a distorted body-centered cubic geometry to fourteen Ca atoms.
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