Materials Data on KTmI3 by Materials Project
KTmI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight I atoms. There are six shorter (3.60 Å) and two longer (3.96 Å) K–I bond lengths. Tm is bonded to six I atoms to form a mixture of edge and corner-sharing TmI6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are four shorter (3.06 Å) and two longer (3.07 Å) Tm–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent K and two equivalent Tm atoms. In the second I site, I is bonded to two equivalent K and two equivalent Tm atoms to form distorted corner-sharing IK2Tm2 tetrahedra.
- 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:
- 1275630
- Report Number(s):
- mp-570303
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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