Materials Data on CdPdF4 by Materials Project
PdCdF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with four equivalent PdF6 octahedra and corners with eight equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 59–62°. There are two shorter (2.21 Å) and four longer (2.24 Å) Pd–F bond lengths. Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with four equivalent CdF6 octahedra and corners with eight equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 59–62°. There are four shorter (2.27 Å) and two longer (2.31 Å) Cd–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Pd2+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Pd2+ and two equivalent Cd2+ atoms.
- 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:
- 1689681
- Report Number(s):
- mp-1226775
- Country of Publication:
- United States
- Language:
- English
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