Materials Data on CdP4 by Materials Project
CdP4 is Hausmannite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd2+ is bonded to six P+0.50- atoms to form CdP6 octahedra that share corners with four equivalent CdP6 octahedra and corners with fourteen PCdP3 tetrahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Cd–P bond distances ranging from 2.67–2.99 Å. There are two inequivalent P+0.50- sites. In the first P+0.50- site, P+0.50- is bonded to one Cd2+ and three P+0.50- atoms to form PCdP3 tetrahedra that share corners with five equivalent CdP6 octahedra and corners with nine PCdP3 tetrahedra. The corner-sharing octahedra tilt angles range from 57–78°. There are two shorter (2.20 Å) and one longer (2.28 Å) P–P bond lengths. In the second P+0.50- site, P+0.50- is bonded to two equivalent Cd2+ and two equivalent P+0.50- atoms to form PCd2P2 tetrahedra that share corners with two equivalent CdP6 octahedra and corners with fourteen PCdP3 tetrahedra. The corner-sharing octahedra tilt angles range from 68–71°.
- 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:
- 1307809
- Report Number(s):
- mp-7904
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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