Materials Data on ZrI3 by Materials Project
ZrI3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two ZrI3 ribbons oriented in the (1, 0, 0) direction. Zr3+ is bonded to six I1- atoms to form face-sharing ZrI6 octahedra. There are three shorter (2.90 Å) and three longer (2.96 Å) Zr–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Zr3+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Zr3+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Zr3+ atoms. In the fourth I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Zr3+ atoms.
- 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:
- 1275572
- Report Number(s):
- mp-570188
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Zr3(MnGa3)2 by Materials Project
Materials Data on Bi13Pt3I7 by Materials Project