Materials Data on Ca3Cd2 by Materials Project
Ca3Cd2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Cd atoms. There are two shorter (3.29 Å) and four longer (3.42 Å) Ca–Cd bond lengths. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent Cd atoms. All Ca–Cd bond lengths are 3.55 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Cd atoms. There are two shorter (3.29 Å) and four longer (3.34 Å) Ca–Cd bond lengths. Cd is bonded in a 10-coordinate geometry to eight Ca and two equivalent Cd atoms. There are one shorter (3.14 Å) and one longer (3.16 Å) Cd–Cd bond lengths.
- 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:
- 1192948
- Report Number(s):
- mp-18167
- Country of Publication:
- United States
- Language:
- English
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