Materials Data on SrSbSe2F by Materials Project
SrSbSe2F crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SrSbSe2F sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent F1- atoms. All Sr–Se bond lengths are 3.21 Å. All Sr–F bond lengths are 2.52 Å. Sb3+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing SbSe5 square pyramids. There are one shorter (2.56 Å) and four longer (2.94 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Sr2+ and one Sb3+ atom. In the second Se2- site, Se2- is bonded in a square co-planar geometry to four equivalent Sb3+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 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:
- 1269220
- Report Number(s):
- mp-556194
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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