Materials Data on Ho5(CoSn3)6 by Materials Project
Ho5(CoSn3)6 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to six Co and twelve Sn atoms. There are two shorter (3.44 Å) and four longer (3.48 Å) Ho–Co bond lengths. There are a spread of Ho–Sn bond distances ranging from 3.32–3.37 Å. In the second Ho site, Ho is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. There are a spread of Ho–Co bond distances ranging from 3.00–3.05 Å. There are a spread of Ho–Sn bond distances ranging from 3.08–3.33 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three Ho and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.57–2.76 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Ho and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.75 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three Ho and two Co atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to three Ho, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.98 Å. In the third Sn site, Sn is bonded in a distorted hexagonal planar geometry to three equivalent Ho and three Co atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to three Ho, two Co, and one Sn atom. The Sn–Sn bond length is 3.00 Å. In the fifth Sn site, Sn is bonded in a 6-coordinate geometry to three Ho, two equivalent Co, and one Sn atom. In the sixth Sn site, Sn is bonded in a distorted L-shaped geometry to two equivalent 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:
- 1747687
- Report Number(s):
- mp-1203536
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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