Materials Data on Ca3Nd by Materials Project
Ca3Nd 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 body-centered cubic geometry to four equivalent Ca and four equivalent Nd atoms. All Ca–Ca bond lengths are 3.70 Å. All Ca–Nd bond lengths are 3.70 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight equivalent Ca and six equivalent Nd atoms. All Ca–Nd bond lengths are 4.27 Å. Nd is bonded in a distorted body-centered cubic geometry to fourteen Ca atoms.
36 MATERIALS SCIENCE↗