Materials Data on Ca2Ag7 by Materials Project
Ag7Ca2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.22–3.42 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Ca and eight Ag atoms to form a mixture of face, edge, and corner-sharing AgCa4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.78–2.94 Å. In the second Ag site, Ag is bonded to four equivalent Ca and eight Ag atoms to form a mixture of face, edge, and corner-sharing AgCa4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.79–2.96 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to four equivalent Ca and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.86–3.23 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:
- 1192155
- Report Number(s):
- mp-16770
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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