Materials Data on Dy2In8Co by Materials Project
Dy2CoIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve In atoms to form DyIn12 cuboctahedra that share corners with eight equivalent DyIn12 cuboctahedra, edges with twelve InDy4In8 cuboctahedra, faces with five equivalent DyIn12 cuboctahedra, and faces with eight InDy4In8 cuboctahedra. There are a spread of Dy–In bond distances ranging from 3.22–3.30 Å. Co is bonded in a body-centered cubic geometry to eight In atoms. All Co–In bond lengths are 2.74 Å. There are six inequivalent In sites. In the first In site, In is bonded to four equivalent Dy and eight In atoms to form distorted InDy4In8 cuboctahedra that share corners with four equivalent InDy4In8 cuboctahedra, edges with eight equivalent DyIn12 cuboctahedra, edges with eight equivalent InDy4In8 cuboctahedra, faces with four equivalent DyIn12 cuboctahedra, and faces with twelve InDy4In8 cuboctahedra. There are four shorter (3.27 Å) and four longer (3.30 Å) In–In bond lengths. In the second In site, In is bonded to four equivalent Dy and eight In atoms to form distorted InDy4In8 cuboctahedra that share corners with eight equivalent InDy4In8 cuboctahedra, edges with four equivalent DyIn12 cuboctahedra, edges with eight equivalent InDy4In8 cuboctahedra, faces with four equivalent DyIn12 cuboctahedra, and faces with nine InDy4In8 cuboctahedra. All In–In bond lengths are 3.21 Å. In the third In site, In is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven In atoms. There are one shorter (2.87 Å) and four longer (3.30 Å) In–In bond lengths. In the fourth In site, In is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven In atoms. The In–In bond length is 2.87 Å. In the fifth In site, In is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven In atoms. Both In–Dy bond lengths are 3.22 Å. There are two shorter (3.21 Å) and four longer (3.30 Å) In–In bond lengths. In the sixth In site, In is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven In atoms. Both In–Dy bond lengths are 3.22 Å. Both In–In bond lengths are 3.21 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:
- 1662201
- Report Number(s):
- mp-1102778
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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