Ca3Sm is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(2) and four equivalent Sm(1) atoms. In the second Ca site, Ca(2) is bonded in a 14-coordinate geometry to eight equivalent Ca(1) and six equivalent Sm(1) atoms. Sm(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ca(2) and eight equivalent Ca(1) atoms.
Ca3Sm is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(2) and four equivalent Sm(1) atoms. All Ca(1)-Ca(2) bond lengths are 3.69 Å. All Ca(1)-Sm(1) bond lengths are 3.69 Å. In the second Ca site, Ca(2) is bonded in a 14-coordinate geometry to eight equivalent Ca(1) and six equivalent Sm(1) atoms. All Ca(2)-Sm(1) bond lengths are 4.26 Å. Sm(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ca(2) and eight equivalent Ca(1) atoms.