Materials Data on Ca(Cu2P)2 by Materials Project
CaCu4P2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent P3- atoms to form a mixture of edge and corner-sharing CaP6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.89 Å) and four longer (2.95 Å) Ca–P bond lengths. Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent P3- atoms. There are one shorter (2.37 Å) and two longer (2.41 Å) Cu–P bond lengths. P3- is bonded in a 9-coordinate geometry to three equivalent Ca2+ and six equivalent Cu1+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1197530
- Report Number(s):
- mp-22295
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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