Materials Data on HoTh by Materials Project
ThHo is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Ho atoms to form ThHo6Th6 cuboctahedra that share corners with twelve ThHo6Th6 cuboctahedra, edges with twelve ThHo6Th6 cuboctahedra, edges with twelve HoHo6Th6 cuboctahedra, faces with six equivalent ThHo6Th6 cuboctahedra, and faces with twelve HoHo6Th6 cuboctahedra. All Th–Th bond lengths are 3.55 Å. All Th–Ho bond lengths are 3.54 Å. In the second Th site, Th is bonded to ten equivalent Th and six Ho atoms to form ThHo6Th10 cuboctahedra that share corners with ten HoHo6Th6 cuboctahedra, corners with twelve ThHo6Th6 cuboctahedra, edges with eight HoHo6Th6 cuboctahedra, edges with sixteen ThHo6Th6 cuboctahedra, faces with sixteen equivalent ThHo6Th10 cuboctahedra, and faces with eighteen HoHo6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.55–7.10 Å. All Th–Ho bond lengths are 3.54 Å. There are three inequivalent Ho sites. In the first Ho site, Ho is bonded to six equivalent Th and six equivalent Ho atoms to form HoHo6Th6 cuboctahedra that share corners with twelve HoHo6Th6 cuboctahedra, edges with twelve equivalent ThHo6Th6 cuboctahedra, edges with twelve HoHo6Th6 cuboctahedra, faces with six equivalent HoHo6Th6 cuboctahedra, and faces with twelve equivalent ThHo6Th6 cuboctahedra. All Ho–Ho bond lengths are 3.55 Å. In the second Ho site, Ho is bonded to six Th and six equivalent Ho atoms to form HoHo6Th6 cuboctahedra that share corners with five equivalent ThHo6Th10 cuboctahedra, corners with twelve HoHo6Th6 cuboctahedra, edges with ten ThHo6Th6 cuboctahedra, edges with twelve HoHo6Th6 cuboctahedra, faces with six equivalent HoHo6Th6 cuboctahedra, and faces with fifteen ThHo6Th6 cuboctahedra. All Ho–Th bond lengths are 3.54 Å. All Ho–Ho bond lengths are 3.55 Å. In the third Ho site, Ho is bonded to six Th and six equivalent Ho atoms to form HoHo6Th6 cuboctahedra that share corners with five equivalent ThHo6Th10 cuboctahedra, corners with twelve HoHo6Th6 cuboctahedra, edges with ten ThHo6Th6 cuboctahedra, edges with twelve HoHo6Th6 cuboctahedra, faces with six equivalent HoHo6Th6 cuboctahedra, and faces with fifteen ThHo6Th6 cuboctahedra. All Ho–Ho bond lengths are 3.55 Å.
- 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:
- 1725161
- Report Number(s):
- mp-1223797
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on ErTh by Materials Project
Materials Data on TbTh by Materials Project
Materials Data on LaCe by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1674284
Materials Data on TbTh by Materials Project
Dataset
·
Thu Sep 03 00:00:00 EDT 2020
·
OSTI ID:1758565
Materials Data on LaCe by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1753591