Materials Data on CaIn by Materials Project
CaIn crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ca–In bond lengths are 3.37 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight equivalent In atoms. There are four shorter (3.35 Å) and four longer (3.42 Å) Ca–In bond lengths. In is bonded in a 8-coordinate geometry to eight Ca and two equivalent In atoms. Both In–In bond lengths are 3.29 Å.
- 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:
- 1196464
- Report Number(s):
- mp-21187
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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