Materials Data on ZrBrN by Materials Project
ZrNBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ZrNBr sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 6-coordinate geometry to four equivalent N3- and two equivalent Br1- atoms. All Zr–N bond lengths are 2.17 Å. Both Zr–Br bond lengths are 2.78 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted corner and edge-sharing NZr4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Zr4+ 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:
- 1268458
- Report Number(s):
- mp-570157
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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