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Materials Data on Tb3Pm by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1746387· OSTI ID:1746387
Tb3Pm is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Pm atoms to form TbTb8Pm4 cuboctahedra that share corners with twelve equivalent TbTb8Pm4 cuboctahedra, edges with eight equivalent PmTb12 cuboctahedra, edges with sixteen TbTb8Pm4 cuboctahedra, faces with four equivalent PmTb12 cuboctahedra, and faces with fourteen TbTb8Pm4 cuboctahedra. All Tb–Tb bond lengths are 3.59 Å. All Tb–Pm bond lengths are 3.59 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Pm atoms to form TbTb8Pm4 cuboctahedra that share corners with four equivalent TbTb8Pm4 cuboctahedra, corners with eight equivalent PmTb12 cuboctahedra, edges with twenty-four TbTb8Pm4 cuboctahedra, faces with six equivalent PmTb12 cuboctahedra, and faces with twelve TbTb8Pm4 cuboctahedra. All Tb–Pm bond lengths are 3.59 Å. Pm is bonded to twelve Tb atoms to form PmTb12 cuboctahedra that share corners with four equivalent PmTb12 cuboctahedra, corners with eight equivalent TbTb8Pm4 cuboctahedra, edges with eight equivalent PmTb12 cuboctahedra, edges with sixteen equivalent TbTb8Pm4 cuboctahedra, faces with four equivalent PmTb12 cuboctahedra, and faces with fourteen TbTb8Pm4 cuboctahedra.
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:
1746387
Report Number(s):
mp-1187300
Country of Publication:
United States
Language:
English

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