Materials Data on In by Materials Project
In is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are eight inequivalent In sites. In the first In site, In is bonded to twelve In atoms to form a mixture of face, edge, and corner-sharing InIn12 cuboctahedra. There are six shorter (3.33 Å) and six longer (3.43 Å) In–In bond lengths. In the second In site, In is bonded to twelve In atoms to form a mixture of face, edge, and corner-sharing InIn12 cuboctahedra. There are a spread of In–In bond distances ranging from 3.33–3.43 Å. In the third In site, In is bonded to twelve In atoms to form a mixture of face, edge, and corner-sharing InIn12 cuboctahedra. All In–In bond lengths are 3.33 Å. In the fourth In site, In is bonded to twelve In atoms to form a mixture of face, edge, and corner-sharing InIn12 cuboctahedra. There are six shorter (3.33 Å) and six longer (3.43 Å) In–In bond lengths. In the fifth In site, In is bonded to twelve In atoms to form a mixture of face, edge, and corner-sharing InIn12 cuboctahedra. There are six shorter (3.33 Å) and three longer (3.39 Å) In–In bond lengths. In the sixth In site, In is bonded to sixteen In atoms to form a mixture of face, edge, and corner-sharing InIn16 cuboctahedra. There are a spread of In–In bond distances ranging from 3.33–6.67 Å. In the seventh In site, In is bonded to twelve In atoms to form a mixture of face, edge, and corner-sharing InIn12 cuboctahedra. There are six shorter (3.33 Å) and three longer (3.39 Å) In–In bond lengths. In the eighth In site, In is bonded to twelve In atoms to form a mixture of face, edge, and corner-sharing InIn12 cuboctahedra. There are six shorter (3.33 Å) and three longer (3.43 Å) In–In 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:
- 1674288
- Report Number(s):
- mp-1184502
- Country of Publication:
- United States
- Language:
- English
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