Materials Data on K2CoCl4 by Materials Project
K2CoCl4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are twenty-four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.20–3.56 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.51 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.25–3.74 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.44 Å. In the fifth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.40 Å. In the sixth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.43 Å. In the seventh K1+ site, K1+ is bonded to six Cl1- atoms to form distorted KCl6 pentagonal pyramids that share corners with four CoCl4 tetrahedra and an edgeedge with one CoCl4 tetrahedra. There are a spread of K–Cl bond distances ranging from 3.19–3.33 Å. In the eighth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.16–3.40 Å. In the ninth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.20–3.40 Å. In the tenth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.45 Å. In the eleventh K1+ site, K1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.37 Å. In the twelfth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.17–3.83 Å. In the thirteenth K1+ site, K1+ is bonded to six Cl1- atoms to form distorted KCl6 pentagonal pyramids that share corners with four CoCl4 tetrahedra and an edgeedge with one CoCl4 tetrahedra. There are a spread of K–Cl bond distances ranging from 3.21–3.37 Å. In the fourteenth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.23–3.44 Å. In the fifteenth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.15–3.46 Å. In the sixteenth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.22–3.50 Å. In the seventeenth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.18–3.54 Å. In the eighteenth K1+ site, K1+ is bonded to six Cl1- atoms to form distorted KCl6 pentagonal pyramids that share corners with four CoCl4 tetrahedra and an edgeedge with one CoCl4 tetrahedra. There are a spread of K–Cl bond distances ranging from 3.21–3.32 Å. In the nineteenth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.20–3.56 Å. In the twentieth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.51 Å. In the twenty-first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.23–3.76 Å. In the twenty-second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.22–3.74 Å. In the twenty-third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.48 Å. In the twenty-fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.55 Å. There are twelve inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to four Cl1- atoms to form CoCl4 tetrahedra that share a cornercorner with one KCl6 pentagonal pyramid. There are a spread of Co–Cl bond distances ranging from 2.24–2.27 Å. In the second Co2+ site, Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Co–Cl bond distances ranging from 2.23–2.27 Å. In the third Co2+ site, Co2+ is bonded to four Cl1- atoms to form CoCl4 tetrahedra that share an edgeedge with one KCl6 pentagonal pyramid. There are a spread of Co–Cl bond distances ranging from 2.24–2.28 Å. In the fourth Co2+ site, Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Co–Cl bond distances ranging from 2.24–2.28 Å. In the fifth Co2+ site, Co2+ is bonded to four Cl1- atoms to form CoCl4 tetrahedra that share corners with three KCl6 pentagonal pyramids. There are a spread of Co–Cl bond distances ranging from 2.24–2.28 Å. In the sixth Co2+ site, Co2+ is bonded to four Cl1- atoms to form CoCl4 tetrahedra that share corners with two KCl6 pentagonal pyramids. There are a spread of Co–Cl bond distances ranging from 2.24–2.27 Å. In the seventh Co2+ site, Co2+ is bonded to four Cl1- atoms to form CoCl4 tetrahedra that share an edgeedge with one KCl6 pentagonal pyramid. There are a spread of Co–Cl bond distances ranging from 2.24–2.28 Å. In the eighth Co2+ site, Co2+ is bonded to four Cl1- atoms to form CoCl4 tetrahedra that share a cornercorner with one KCl6 pentagonal pyramid. There are a spread of Co–Cl bond distances ranging from 2.23–2.27 Å. In the ninth Co2+ site, Co2+ is bonded to four Cl1- atoms to form CoCl4 tetrahedra that share corners with two KCl6 pentagonal pyramids. There are a spread of Co–Cl bond distances ranging from 2.24–2.28 Å. In the tenth Co2+ site, Co2+ is bonded to four Cl1- atoms to form CoCl4 tetrahedra that share a cornercorner with one KCl6 pentagonal pyramid. There are a spread of Co–Cl bond distances ranging from 2.23–2.28 Å. In the eleventh Co2+ site, Co2+ is bonded to four Cl1- atoms to form CoCl4 tetrahedra that share corners with two KCl6 pentagonal pyramids. There are a spread of Co–Cl bond distances ranging from 2.24–2.28 Å. In the twelfth Co2+ site, Co2+ is bonded to four Cl1- atoms to form CoCl4 tetrahedra that share an edgeedge with one KCl6 pentagonal pyramid. There are a spread of Co–Cl bond distances ranging from 2.25–2.29 Å. There are forty-eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five K1+ and one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Co2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the fifth Cl1- site, Cl1- is bonded to four K1+ and one Co2+ atom to form a mixture of distorted edge and corner-sharing ClK4Co trigonal bipyramids. In the sixth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the seventh Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the eighth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the ninth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the tenth Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Co2+ atom. In the eleventh Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the twelfth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the thirteenth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the fourteenth Cl1- site, Cl1- is bonded to four K1+ and one Co2+ atom to form distorted corner-sharing ClK4Co trigonal bipyramids. In the fifteenth Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to three K1+ and one Co2+ atom. In the sixteenth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the seventeenth Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Co2+ atom. In the eighteenth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the nineteenth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the twentieth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the twenty-first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the twenty-second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the twenty-third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the twenty-fourth Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Co2+ atom. In the twenty-fifth Cl1- site, Cl1- is bonded to four K1+ and one Co2+ atom to form distorted edge-sharing ClK4Co trigonal bipyramids. In the twenty-sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the twenty-seventh Cl1- site, Cl1- is bonded to four K1+ and one Co2+ atom to form a mixture of distorted edge and corner-sharing ClK4Co square pyramids. In the twenty-eighth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the twenty-ninth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the thirtieth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five K1+ and one Co2+ atom. In the thirty-first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the thirty-second Cl1- site, Cl1- is bonded to four K1+ and one Co2+ atom to form a mixture of distorted edge and corner-sharing ClK4Co trigonal bipyramids. In the thirty-third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five K1+ and one Co2+ atom. In the thirty-fourth Cl1- site, Cl1- is bonded to four K1+ and one Co2+ atom to form a mixture of distorted edge and corner-sharing ClK4Co trigonal bipyramids. In the thirty-fifth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Co2+ atom. In the thirty-sixth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the thirty-seventh Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Co2+ atom. In the thirty-eighth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the thirty-ninth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the fortieth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the forty-first Cl1- site, Cl1- is bonded to four K1+ and one Co2+ atom to form a mixture of distorted edge and corner-sharing ClK4Co trigonal bipyramids. In the forty-second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the forty-third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Co2+ atom. In the forty-fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the forty-fifth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the forty-sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Co2+ atom. In the forty-seventh Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Co2+ atom. In the forty-eighth Cl1- site, Cl1- is
- 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:
- 1281285
- Report Number(s):
- mp-654372
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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