Materials Data on Ca3BiP by Materials Project
Ca3BiP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Bi and two equivalent P atoms. All Ca–Bi bond lengths are 3.84 Å. Both Ca–P bond lengths are 2.71 Å. Bi is bonded to twelve equivalent Ca atoms to form BiCa12 cuboctahedra that share corners with twelve equivalent BiCa12 cuboctahedra, faces with six equivalent BiCa12 cuboctahedra, and faces with eight equivalent PCa6 octahedra. P is bonded to six equivalent Ca atoms to form PCa6 octahedra that share corners with six equivalent PCa6 octahedra and faces with eight equivalent BiCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
36 MATERIALS SCIENCE↗