Materials Data on ZrSe by Materials Project
ZrSe is Millerite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded to five Se2- atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There are a spread of Zr–Se bond distances ranging from 2.68–2.89 Å. In the second Zr2+ site, Zr2+ is bonded to five Se2- atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There are a spread of Zr–Se bond distances ranging from 2.68–2.89 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Zr2+ atoms to form a mixture of distorted edge and corner-sharing SeZr5 square pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Zr2+ 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:
- 1681607
- Report Number(s):
- mp-1215280
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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