Ca3Nd 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 body-centered cubic geometry to four equivalent Ca(2) and four equivalent Nd(1) atoms. In the second Ca site, Ca(2) is bonded in a 14-coordinate geometry to eight equivalent Ca(1) and six equivalent Nd(1) atoms. Nd(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ca(2) and eight equivalent Ca(1) atoms.
Ca3Nd 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 body-centered cubic geometry to four equivalent Ca(2) and four equivalent Nd(1) atoms. All Ca(1)-Ca(2) bond lengths are 3.70 Å. All Ca(1)-Nd(1) bond lengths are 3.70 Å. In the second Ca site, Ca(2) is bonded in a 14-coordinate geometry to eight equivalent Ca(1) and six equivalent Nd(1) atoms. All Ca(2)-Nd(1) bond lengths are 4.27 Å. Nd(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ca(2) and eight equivalent Ca(1) atoms.