Materials Data on Ho48In7Co17 by Materials Project
Ho48Co17In7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are sixteen inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to three Co and one In atom. There are a spread of Ho–Co bond distances ranging from 2.75–2.85 Å. The Ho–In bond length is 3.40 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to three Co and one In atom. There are a spread of Ho–Co bond distances ranging from 2.74–2.88 Å. The Ho–In bond length is 3.38 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to three Co and one In atom. There are a spread of Ho–Co bond distances ranging from 2.74–2.89 Å. The Ho–In bond length is 3.39 Å. In the fourth Ho site, Ho is bonded in a 4-coordinate geometry to three Co and one In atom. There are a spread of Ho–Co bond distances ranging from 2.74–2.89 Å. The Ho–In bond length is 3.40 Å. In the fifth Ho site, Ho is bonded in a 5-coordinate geometry to three Co and two In atoms. There are a spread of Ho–Co bond distances ranging from 2.90–3.25 Å. There are one shorter (3.26 Å) and one longer (3.56 Å) Ho–In bond lengths. In the sixth Ho site, Ho is bonded in a 5-coordinate geometry to three Co and two In atoms. There are a spread of Ho–Co bond distances ranging from 2.89–3.24 Å. There are one shorter (3.23 Å) and one longer (3.60 Å) Ho–In bond lengths. In the seventh Ho site, Ho is bonded in a 5-coordinate geometry to three Co and two In atoms. There are a spread of Ho–Co bond distances ranging from 2.86–3.25 Å. There are one shorter (3.23 Å) and one longer (3.60 Å) Ho–In bond lengths. In the eighth Ho site, Ho is bonded in a 5-coordinate geometry to four Co and one In atom. There are a spread of Ho–Co bond distances ranging from 2.89–3.24 Å. The Ho–In bond length is 3.69 Å. In the ninth Ho site, Ho is bonded in a 2-coordinate geometry to three Co and one In atom. There are a spread of Ho–Co bond distances ranging from 2.76–3.43 Å. The Ho–In bond length is 3.38 Å. In the tenth Ho site, Ho is bonded in a distorted rectangular see-saw-like geometry to two Co and two In atoms. There are one shorter (2.80 Å) and one longer (3.13 Å) Ho–Co bond lengths. There are one shorter (3.07 Å) and one longer (3.34 Å) Ho–In bond lengths. In the eleventh Ho site, Ho is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.80 Å) and one longer (3.15 Å) Ho–Co bond lengths. There are one shorter (3.08 Å) and one longer (3.34 Å) Ho–In bond lengths. In the twelfth Ho site, Ho is bonded in a distorted rectangular see-saw-like geometry to two Co and two In atoms. There are one shorter (2.80 Å) and one longer (3.14 Å) Ho–Co bond lengths. There are one shorter (3.07 Å) and one longer (3.32 Å) Ho–In bond lengths. In the thirteenth Ho site, Ho is bonded in a distorted rectangular see-saw-like geometry to two Co and two In atoms. There are one shorter (2.82 Å) and one longer (3.09 Å) Ho–Co bond lengths. There are one shorter (3.09 Å) and one longer (3.33 Å) Ho–In bond lengths. In the fourteenth Ho site, Ho is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.81 Å) and one longer (3.17 Å) Ho–Co bond lengths. There are one shorter (3.07 Å) and one longer (3.33 Å) Ho–In bond lengths. In the fifteenth Ho site, Ho is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.81 Å) and one longer (3.18 Å) Ho–Co bond lengths. There are one shorter (3.07 Å) and one longer (3.34 Å) Ho–In bond lengths. In the sixteenth Ho site, Ho is bonded in a 2-coordinate geometry to three Co and one In atom. There are a spread of Ho–Co bond distances ranging from 2.78–3.46 Å. The Ho–In bond length is 3.39 Å. There are nine inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Ho and one Co atom. The Co–Co bond length is 2.35 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Ho and one Co atom. The Co–Co bond length is 2.37 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to eight Ho and one Co atom. In the fourth Co site, Co is bonded in a 9-coordinate geometry to eight Ho and one Co atom. In the fifth Co site, Co is bonded in a body-centered cubic geometry to eight Ho atoms. In the sixth Co site, Co is bonded in a 9-coordinate geometry to eight Ho and one Co atom. The Co–Co bond length is 2.22 Å. In the seventh Co site, Co is bonded in a 9-coordinate geometry to eight Ho and one Co atom. The Co–Co bond length is 2.24 Å. In the eighth Co site, Co is bonded in a 9-coordinate geometry to eight Ho and one Co atom. The Co–Co bond length is 2.24 Å. In the ninth Co site, Co is bonded in a 9-coordinate geometry to eight Ho and one Co atom. There are four inequivalent In sites. In the first In site, In is bonded in a cuboctahedral geometry to twelve Ho atoms. In the second In site, In is bonded in a cuboctahedral geometry to twelve Ho atoms. In the third In site, In is bonded in a body-centered cubic geometry to eight Ho atoms. In the fourth In site, In is bonded in a body-centered cubic geometry to eight Ho atoms.
- 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:
- 1679072
- Report Number(s):
- mp-1227815
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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