Materials Data on Tb3U(CoGe)8 by Materials Project
UTb3(CoGe)8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All U–Co bond lengths are 3.18 Å. All U–Ge bond lengths are 3.09 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to eight Co and eight Ge atoms. There are four shorter (3.22 Å) and four longer (3.23 Å) Tb–Co bond lengths. There are four shorter (3.09 Å) and four longer (3.11 Å) Tb–Ge bond lengths. In the second Tb site, Tb is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All Tb–Co bond lengths are 3.21 Å. All Tb–Ge bond lengths are 3.11 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent U, two equivalent Tb, and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoTb2U2Ge4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.36 Å) Co–Ge bond lengths. In the second Co site, Co is bonded to four Tb and four Ge atoms to form distorted CoTb4Ge4 tetrahedra that share corners with twelve CoTb2U2Ge4 tetrahedra, edges with six CoTb2U2Ge4 tetrahedra, and faces with four equivalent CoTb4Ge4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.35 Å) Co–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Co, and one Ge atom.
- 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:
- 1673033
- Report Number(s):
- mp-1217742
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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