Materials Data on K2SbF5 by Materials Project
K2SbF5 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are twenty-two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of K–F bond distances ranging from 2.60–2.71 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.79–3.18 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.61–3.12 Å. In the fourth K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of K–F bond distances ranging from 2.79–3.34 Å. In the fifth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.59–3.37 Å. In the sixth K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.79–3.18 Å. In the seventh K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of K–F bond distances ranging from 2.58–2.75 Å. In the eighth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.50–2.95 Å. In the ninth K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.81–3.35 Å. In the tenth K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.76–3.03 Å. In the eleventh K1+ site, K1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of K–F bond distances ranging from 2.81–3.21 Å. In the twelfth K1+ site, K1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.65–3.34 Å. In the thirteenth K1+ site, K1+ is bonded in a 7-coordinate geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.60–3.17 Å. In the fourteenth K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of K–F bond distances ranging from 2.61–2.72 Å. In the fifteenth K1+ site, K1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.57–3.00 Å. In the sixteenth K1+ site, K1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.60–3.09 Å. In the seventeenth K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.79–3.18 Å. In the eighteenth K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.78–3.10 Å. In the nineteenth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.60–3.30 Å. In the twentieth K1+ site, K1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of K–F bond distances ranging from 2.54–2.69 Å. In the twenty-first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.63–3.16 Å. In the twenty-second K1+ site, K1+ is bonded to six F1- atoms to form distorted KF6 pentagonal pyramids that share corners with six SbF5 square pyramids. There are a spread of K–F bond distances ranging from 2.58–2.95 Å. There are eleven inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five F1- atoms to form SbF5 square pyramids that share a cornercorner with one KF6 pentagonal pyramid. There are a spread of Sb–F bond distances ranging from 1.99–2.15 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 2.02–2.28 Å. In the third Sb3+ site, Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.99–2.15 Å. In the fourth Sb3+ site, Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.99–2.12 Å. In the fifth Sb3+ site, Sb3+ is bonded to five F1- atoms to form SbF5 square pyramids that share corners with three equivalent KF6 pentagonal pyramids. There are a spread of Sb–F bond distances ranging from 1.98–2.12 Å. In the sixth Sb3+ site, Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.99–2.17 Å. In the seventh Sb3+ site, Sb3+ is bonded to five F1- atoms to form SbF5 square pyramids that share corners with two equivalent KF6 pentagonal pyramids. There are a spread of Sb–F bond distances ranging from 1.99–2.14 Å. In the eighth Sb3+ site, Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.99–2.13 Å. In the ninth Sb3+ site, Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 2.00–2.14 Å. In the tenth Sb3+ site, Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.99–2.15 Å. In the eleventh Sb3+ site, Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.99–2.14 Å. There are fifty-five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to four K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to three K1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to two K1+ and one Sb3+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the eighth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the ninth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the tenth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the eleventh F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the twelfth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the thirteenth F1- site, F1- is bonded in a 2-coordinate geometry to three K1+ and one Sb3+ atom. In the fourteenth F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Sb3+ atom. In the fifteenth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the sixteenth F1- site, F1- is bonded in a 3-coordinate geometry to three K1+ and one Sb3+ atom. In the seventeenth F1- site, F1- is bonded in a 2-coordinate geometry to three K1+ and one Sb3+ atom. In the eighteenth F1- site, F1- is bonded in a 3-coordinate geometry to four K1+ and one Sb3+ atom. In the nineteenth F1- site, F1- is bonded in a distorted single-bond geometry to four K1+ and one Sb3+ atom. In the twentieth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the twenty-first F1- site, F1- is bonded in a 2-coordinate geometry to two K1+ and one Sb3+ atom. In the twenty-second F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the twenty-third F1- site, F1- is bonded in a distorted trigonal planar geometry to two K1+ and one Sb3+ atom. In the twenty-fourth F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the twenty-fifth F1- site, F1- is bonded in a 1-coordinate geometry to four K1+ and one Sb3+ atom. In the twenty-sixth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the twenty-seventh F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and one Sb3+ atom. In the twenty-eighth F1- site, F1- is bonded in a 2-coordinate geometry to three K1+ and one Sb3+ atom. In the twenty-ninth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the thirtieth F1- site, F1- is bonded in a 4-coordinate geometry to four K1+ and one Sb3+ atom. In the thirty-first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the thirty-second F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the thirty-third F1- site, F1- is bonded in a 2-coordinate geometry to three K1+ and one Sb3+ atom. In the thirty-fourth F1- site, F1- is bonded to three K1+ and one Sb3+ atom to form distorted corner-sharing FK3Sb tetrahedra. In the thirty-fifth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the thirty-sixth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the thirty-seventh F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the thirty-eighth F1- site, F1- is bonded in a 1-coordinate geometry to four K1+ and one Sb3+ atom. In the thirty-ninth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the fortieth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the forty-first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the forty-second F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the forty-third F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the forty-fourth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the forty-fifth F1- site, F1- is bonded in a 1-coordinate geometry to four K1+ and one Sb3+ atom. In the forty-sixth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the forty-seventh F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the forty-eighth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the forty-ninth F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the fiftieth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the fifty-first F1- site, F1- is bonded in a 3-coordinate geometry to three K1+ and one Sb3+ atom. In the fifty-second F1- site, F1- is bonded in a distorted tetrahedral geometry to three K1+ and one Sb3+ atom. In the fifty-third F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the fifty-fourth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the fifty-fifth F1- site, F1- is bonded in a linear geometry to one K1+ and one Sb3+ 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:
- 1280914
- Report Number(s):
- mp-649747
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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