Materials Data on Mg2Cd by Materials Project
Mg2Cd crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Cd atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with eighteen MgMg10Cd2 cuboctahedra, edges with eight equivalent CdMg8Cd4 cuboctahedra, edges with ten MgMg6Cd6 cuboctahedra, faces with eight CdMg8Cd4 cuboctahedra, and faces with twelve MgMg10Cd2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.20 Å. Both Mg–Cd bond lengths are 3.09 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Cd atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with eighteen MgMg10Cd2 cuboctahedra, edges with six MgMg6Cd6 cuboctahedra, edges with twelve CdMg8Cd4 cuboctahedra, faces with six CdMg8Cd4 cuboctahedra, and faces with fourteen MgMg10Cd2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.20 Å. All Mg–Cd bond lengths are 3.12 Å. In the third Mg site, Mg is bonded to six Mg and six Cd atoms to form distorted MgMg6Cd6 cuboctahedra that share corners with eighteen MgMg10Cd2 cuboctahedra, edges with four equivalent CdMg8Cd4 cuboctahedra, edges with fourteen MgMg8Cd4 cuboctahedra, faces with ten MgMg10Cd2 cuboctahedra, and faces with ten CdMg8Cd4 cuboctahedra. Both Mg–Mg bond lengths are 3.20 Å. All Mg–Cd bond lengths are 3.13 Å. In the fourth Mg site, Mg is bonded to eight Mg and four Cd atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with six equivalent MgMg8Cd4 cuboctahedra, corners with twelve CdMg8Cd4 cuboctahedra, edges with six CdMg8Cd4 cuboctahedra, edges with twelve MgMg10Cd2 cuboctahedra, faces with four CdMg8Cd4 cuboctahedra, and faces with sixteen MgMg10Cd2 cuboctahedra. Both Mg–Mg bond lengths are 3.20 Å. There are two shorter (3.15 Å) and two longer (3.17 Å) Mg–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to eight Mg and four Cd atoms to form distorted CdMg8Cd4 cuboctahedra that share corners with six equivalent MgMg8Cd4 cuboctahedra, corners with twelve CdMg8Cd4 cuboctahedra, edges with three equivalent CdMg8Cd4 cuboctahedra, edges with fifteen MgMg8Cd4 cuboctahedra, faces with six CdMg8Cd4 cuboctahedra, and faces with fourteen MgMg10Cd2 cuboctahedra. There are two shorter (3.20 Å) and two longer (3.21 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to eight Mg and four Cd atoms to form distorted CdMg8Cd4 cuboctahedra that share corners with six equivalent MgMg8Cd4 cuboctahedra, corners with twelve CdMg8Cd4 cuboctahedra, edges with three equivalent CdMg8Cd4 cuboctahedra, edges with fifteen MgMg10Cd2 cuboctahedra, faces with six CdMg8Cd4 cuboctahedra, and faces with fourteen MgMg10Cd2 cuboctahedra. Both Cd–Cd bond lengths are 3.20 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:
- 1731246
- Report Number(s):
- mp-1094927
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Mg2Cd by Materials Project
Materials Data on MgCd by Materials Project