KFeCl4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(3), one Cl(4), one Cl(5), one Cl(7), two equivalent Cl(6), and two equivalent Cl(8) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and two equivalent Cl(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(7) atom. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to one Cl(4), one Cl(5), one Cl(6), and one Cl(8) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Fe(1) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent K(2) and one Fe(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Fe(1) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Fe(2) atom. In the fifth Cl site, Cl(5) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Fe(2) atom. In the sixth Cl site, Cl(6) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Fe(2) atom. In the seventh Cl site, Cl(7) is bonded in a distorted bent 150 degrees geometry to one K(1) and one Fe(1) atom. In the eighth Cl site, Cl(8) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Fe(2) atom.
KFeCl4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(3), one Cl(4), one Cl(5), one Cl(7), two equivalent Cl(6), and two equivalent Cl(8) atoms. The K(1)-Cl(1) bond length is 3.25 Å. The K(1)-Cl(3) bond length is 3.69 Å. The K(1)-Cl(4) bond length is 3.25 Å. The K(1)-Cl(5) bond length is 3.61 Å. The K(1)-Cl(7) bond length is 3.24 Å. There is one shorter (3.27 Å) and one longer (3.72 Å) K(1)-Cl(6) bond length. There is one shorter (3.20 Å) and one longer (3.25 Å) K(1)-Cl(8) bond length. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and two equivalent Cl(2) atoms. The K(2)-Cl(1) bond length is 3.23 Å. The K(2)-Cl(3) bond length is 3.28 Å. The K(2)-Cl(4) bond length is 3.25 Å. The K(2)-Cl(5) bond length is 3.23 Å. There is one shorter (3.19 Å) and one longer (3.26 Å) K(2)-Cl(2) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(7) atom. The Fe(1)-Cl(1) bond length is 2.20 Å. The Fe(1)-Cl(2) bond length is 2.21 Å. The Fe(1)-Cl(3) bond length is 2.20 Å. The Fe(1)-Cl(7) bond length is 2.19 Å. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to one Cl(4), one Cl(5), one Cl(6), and one Cl(8) atom. The Fe(2)-Cl(4) bond length is 2.20 Å. The Fe(2)-Cl(5) bond length is 2.19 Å. The Fe(2)-Cl(6) bond length is 2.20 Å. The Fe(2)-Cl(8) bond length is 2.20 Å. There are eight inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Fe(1) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent K(2) and one Fe(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Fe(1) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Fe(2) atom. In the fifth Cl site, Cl(5) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Fe(2) atom. In the sixth Cl site, Cl(6) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Fe(2) atom. In the seventh Cl site, Cl(7) is bonded in a distorted bent 150 degrees geometry to one K(1) and one Fe(1) atom. In the eighth Cl site, Cl(8) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Fe(2) atom.