DOI: 10.17188/1281233
title: Materials Data on K2ZnCl4 by Materials Project

description: K2ZnCl4 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 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.25–3.45 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 3.20–3.55 Å. In the 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 3.15–3.49 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 3.20–3.48 Å. In the fifth K1+ site, K1+ is bonded to six Cl1- atoms to form distorted KCl6 pentagonal pyramids that share corners with four ZnCl4 tetrahedra and an edgeedge with one ZnCl4 tetrahedra. There are a spread of K–Cl bond distances ranging from 3.21–3.34 Å. In the sixth 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 3.17–3.40 Å. In the seventh 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 3.24–3.49 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 3.22–3.41 Å. In the ninth 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 3.18–3.85 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 3.21–3.51 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 3.19–3.44 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 3.24–3.71 Å. In the thirteenth 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 3.21–3.45 Å. In the fourteenth 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 3.26–3.76 Å. In the fifteenth 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 3.24–3.74 Å. In the sixteenth 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 3.19–3.61 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 3.19–3.43 Å. In the eighteenth K1+ site, K1+ is bonded to six Cl1- atoms to form distorted KCl6 pentagonal pyramids that share corners with four ZnCl4 tetrahedra and an edgeedge with one ZnCl4 tetrahedra. There are a spread of K–Cl bond distances ranging from 3.21–3.41 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 7-coordinate geometry to seven Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.20–3.55 Å. In the twenty-first 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 twenty-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 3.20–3.48 Å. In the twenty-third K1+ site, K1+ is bonded to six Cl1- atoms to form distorted KCl6 pentagonal pyramids that share corners with four ZnCl4 tetrahedra, an edgeedge with one KCl6 pentagonal pyramid, and an edgeedge with one ZnCl4 tetrahedra. There are a spread of K–Cl bond distances ranging from 3.19–3.42 Å. In the twenty-fourth K1+ site, K1+ is bonded to six Cl1- atoms to form distorted KCl6 pentagonal pyramids that share corners with four ZnCl4 tetrahedra, an edgeedge with one KCl6 pentagonal pyramid, and an edgeedge with one ZnCl4 tetrahedra. There are a spread of K–Cl bond distances ranging from 3.20–3.33 Å. There are twelve inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form ZnCl4 tetrahedra that share corners with two KCl6 pentagonal pyramids. There are a spread of Zn–Cl bond distances ranging from 2.26–2.32 Å. In the second Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form ZnCl4 tetrahedra that share corners with two KCl6 pentagonal pyramids. There are a spread of Zn–Cl bond distances ranging from 2.27–2.32 Å. In the third Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form ZnCl4 tetrahedra that share a cornercorner with one KCl6 pentagonal pyramid. There are a spread of Zn–Cl bond distances ranging from 2.25–2.32 Å. In the fourth Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form ZnCl4 tetrahedra that share corners with two KCl6 pentagonal pyramids and an edgeedge with one KCl6 pentagonal pyramid. There are a spread of Zn–Cl bond distances ranging from 2.26–2.31 Å. In the fifth Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form ZnCl4 tetrahedra that share a cornercorner with one KCl6 pentagonal pyramid and an edgeedge with one KCl6 pentagonal pyramid. There are a spread of Zn–Cl bond distances ranging from 2.27–2.32 Å. In the sixth Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form ZnCl4 tetrahedra that share an edgeedge with one KCl6 pentagonal pyramid. There are a spread of Zn–Cl bond distances ranging from 2.26–2.33 Å. In the seventh Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form ZnCl4 tetrahedra that share a cornercorner with one KCl6 pentagonal pyramid. There are a spread of Zn–Cl bond distances ranging from 2.24–2.30 Å. In the eighth Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form ZnCl4 tetrahedra that share corners with two KCl6 pentagonal pyramids. There are a spread of Zn–Cl bond distances ranging from 2.25–2.30 Å. In the ninth Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form ZnCl4 tetrahedra that share a cornercorner with one KCl6 pentagonal pyramid. There are a spread of Zn–Cl bond distances ranging from 2.26–2.32 Å. In the tenth Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form ZnCl4 tetrahedra that share corners with three KCl6 pentagonal pyramids. There are a spread of Zn–Cl bond distances ranging from 2.26–2.32 Å. In the eleventh Zn2+ site, Zn2+ is bonded to four Cl1- atoms to form ZnCl4 tetrahedra that share a cornercorner with one KCl6 pentagonal pyramid and an edgeedge with one KCl6 pentagonal pyramid. There are a spread of Zn–Cl bond distances ranging from 2.26–2.31 Å. In the twelfth Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.26–2.31 Å. There are forty-eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five K1+ and one Zn2+ atom. In the fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the seventh Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the eighth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the ninth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three K1+ and one Zn2+ atom. In the tenth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the eleventh Cl1- site, Cl1- is bonded to four K1+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing ClK4Zn trigonal bipyramids. In the twelfth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the thirteenth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the fourteenth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five K1+ and one Zn2+ atom. In the fifteenth Cl1- site, Cl1- is bonded to four K1+ and one Zn2+ atom to form distorted corner-sharing ClK4Zn trigonal bipyramids. In the sixteenth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the seventeenth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the eighteenth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the nineteenth Cl1- site, Cl1- is bonded to four K1+ and one Zn2+ atom to form distorted edge-sharing ClK4Zn trigonal bipyramids. In the twentieth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the twenty-first Cl1- site, Cl1- is bonded to four K1+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing ClK4Zn trigonal bipyramids. In the twenty-second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the twenty-third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the twenty-fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the twenty-fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the twenty-sixth Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Zn2+ atom. In the twenty-seventh Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the twenty-eighth Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Zn2+ atom. In the twenty-ninth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the thirtieth Cl1- site, Cl1- is bonded to four K1+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing ClK4Zn square pyramids. In the thirty-first Cl1- site, Cl1- is bonded to four K1+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing ClK4Zn trigonal bipyramids. In the thirty-second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three K1+ and one Zn2+ atom. In the thirty-third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the thirty-fourth Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Zn2+ atom. In the thirty-fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five K1+ and one Zn2+ atom. In the thirty-sixth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the thirty-seventh Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three K1+ and one Zn2+ atom. In the thirty-eighth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three K1+ and one Zn2+ atom. In the thirty-ninth Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Zn2+ atom. In the fortieth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the forty-first Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Zn2+ atom. In the forty-second Cl1- site, Cl1- is bonded to four K1+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing ClK4Zn trigonal bipyramids. In the forty-third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Zn2+ atom. In the forty-fourth Cl1- site, Cl1- is bonded in a 1-coor