Materials Data on Th6Cd7 by Materials Project
Th6Cd7 is Frank-Kasper $$\mu$$ Phase-like structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to seven Th and eight Cd atoms. There are a spread of Th–Th bond distances ranging from 3.27–3.78 Å. There are a spread of Th–Cd bond distances ranging from 3.42–3.58 Å. In the second Th site, Th is bonded in a 10-coordinate geometry to six Th and ten Cd atoms. There are a spread of Th–Th bond distances ranging from 3.56–3.90 Å. There are a spread of Th–Cd bond distances ranging from 3.45–3.70 Å. In the third Th site, Th is bonded in a 7-coordinate geometry to eight Th and six Cd atoms. The Th–Th bond length is 3.11 Å. There are a spread of Th–Cd bond distances ranging from 3.35–3.39 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded to six Th and six Cd atoms to form CdTh6Cd6 cuboctahedra that share corners with ten CdTh7Cd5 cuboctahedra, edges with two equivalent CdTh6Cd6 cuboctahedra, and faces with sixteen CdTh7Cd5 cuboctahedra. There are four shorter (3.04 Å) and two longer (3.05 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to seven Th and five Cd atoms to form CdTh7Cd5 cuboctahedra that share corners with twelve CdTh6Cd6 cuboctahedra, edges with three equivalent CdTh7Cd5 cuboctahedra, and faces with fourteen CdTh6Cd6 cuboctahedra. There are two shorter (3.03 Å) and two longer (3.04 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded to seven Th and five Cd atoms to form CdTh7Cd5 cuboctahedra that share corners with thirteen CdTh6Cd6 cuboctahedra, edges with five equivalent CdTh7Cd5 cuboctahedra, and faces with thirteen CdTh6Cd6 cuboctahedra. There are one shorter (2.95 Å) and one longer (3.09 Å) Cd–Cd bond lengths.
- 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:
- 1204903
- Report Number(s):
- mp-30499
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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