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°.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1330036
- Report Number(s):
- mp-1013558
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ca3SbP by Materials Project
Materials Data on Ca3BiAs by Materials Project
Materials Data on Ba3SiO by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1330029
Materials Data on Ca3BiAs by Materials Project
Dataset
·
Mon Jul 20 00:00:00 EDT 2020
·
OSTI ID:1330024
Materials Data on Ba3SiO by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1289641