Materials Data on Ho5(Ge5Ir2)2 by Materials Project
Ho5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Ho–Ir bond lengths are 3.21 Å. There are eight shorter (3.01 Å) and four longer (3.36 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ir and eight Ge atoms. All Ho–Ir bond lengths are 3.21 Å. There are a spread of Ho–Ge bond distances ranging from 2.94–3.26 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ir and four Ge atoms. Both Ho–Ir bond lengths are 3.16 Å. There are two shorter (2.78 Å) and two longer (2.82 Å) Ho–Ge bond lengths. Ir is bonded in a 9-coordinate geometry to four Ho and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.46–2.54 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Ho, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.94 Å. In the second Ge site, Ge is bonded in a 5-coordinate geometry to four Ho and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to four Ho and two equivalent Ir atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1203259
- Report Number(s):
- mp-29119
- Country of Publication:
- United States
- Language:
- English
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