Materials Data on ReSF4 by Materials Project
ReSF4 crystallizes in the orthorhombic Pca2_1 space group. The structure is one-dimensional and consists of four ReSF4 ribbons oriented in the (0, 1, 0) direction. In two of the ReSF4 ribbons, there are three inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded in a 6-coordinate geometry to one S2- and five F1- atoms. The Re–S bond length is 2.06 Å. There are a spread of Re–F bond distances ranging from 1.90–2.40 Å. In the second Re6+ site, Re6+ is bonded in a 6-coordinate geometry to one S2- and five F1- atoms. The Re–S bond length is 2.06 Å. There are a spread of Re–F bond distances ranging from 1.89–2.40 Å. In the third Re6+ site, Re6+ is bonded in a 6-coordinate geometry to one S2- and five F1- atoms. The Re–S bond length is 2.06 Å. There are a spread of Re–F bond distances ranging from 1.88–2.45 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Re6+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one Re6+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to one Re6+ atom. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Re6+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Re6+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to two Re6+ atoms. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the twelfth F1- site, F1- is bonded in a distorted single-bond geometry to one Re6+ atom. In two of the ReSF4 ribbons, there are three inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded in a 6-coordinate geometry to one S2- and five F1- atoms. The Re–S bond length is 2.06 Å. There are a spread of Re–F bond distances ranging from 1.89–2.46 Å. In the second Re6+ site, Re6+ is bonded in a 6-coordinate geometry to one S2- and five F1- atoms. The Re–S bond length is 2.06 Å. There are a spread of Re–F bond distances ranging from 1.90–2.43 Å. In the third Re6+ site, Re6+ is bonded in a 6-coordinate geometry to one S2- and five F1- atoms. The Re–S bond length is 2.06 Å. There are a spread of Re–F bond distances ranging from 1.89–2.47 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one Re6+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one Re6+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to one Re6+ atom. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Re6+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Re6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to two Re6+ atoms. In the ninth F1- site, F1- is bonded in a distorted single-bond geometry to two Re6+ atoms. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom.
- 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:
- 1271746
- Report Number(s):
- mp-560960
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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