KMgMn4O8 crystallizes in the triclinic P-1 space group. K(1) is bonded to two equivalent O(2) and four O(3,3) atoms to form distorted KO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four O(3,3) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(2) is bonded to two equivalent O(1) and four O(3,3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. In the fourth Mn site, Mn(3) is bonded to two equivalent O(2) and four O(3,3) atoms to form MnO6 octahedra that share corners with six equivalent K(1)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1); one Mn(2); and two Mn(1,1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one K(1); one Mn(3); and two Mn(1,1) atoms. In the third O site, O(3) is bonded to one K(1), one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of edge and corner-sharing OKMgMn3 square pyramids. In the fourth O site, O(3) is bonded to one K(1), one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted edge and corner-sharing OKMgMn3 square pyramids.
KMgMn4O8 crystallizes in the triclinic P-1 space group. K(1) is bonded to two equivalent O(2) and four O(3,3) atoms to form distorted KO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. Both K(1)-O(2) bond lengths are 2.42 Å. All K(1)-O(3,3) bond lengths are 2.48 Å. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four O(3,3) atoms. Both Mg(1)-O(1) bond lengths are 2.32 Å. There are two shorter (2.26 Å) and two longer (2.27 Å) Mg(1)-O(3,3) bond lengths. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. Both Mn(1)-O(1) bond lengths are 2.00 Å. Both Mn(1)-O(2) bond lengths are 1.95 Å. Both Mn(1)-O(3) bond lengths are 1.97 Å. In the second Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. Both Mn(1)-O(1) bond lengths are 2.00 Å. Both Mn(1)-O(2) bond lengths are 1.96 Å. Both Mn(1)-O(3) bond lengths are 1.97 Å. In the third Mn site, Mn(2) is bonded to two equivalent O(1) and four O(3,3) atoms to form MnO6 octahedra that share edges with two equivalent K(1)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. Both Mn(2)-O(1) bond lengths are 2.25 Å. All Mn(2)-O(3,3) bond lengths are 2.22 Å. In the fourth Mn site, Mn(3) is bonded to two equivalent O(2) and four O(3,3) atoms to form MnO6 octahedra that share corners with six equivalent K(1)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. Both Mn(3)-O(2) bond lengths are 2.17 Å. There are two shorter (1.98 Å) and two longer (1.99 Å) Mn(3)-O(3,3) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1); one Mn(2); and two Mn(1,1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one K(1); one Mn(3); and two Mn(1,1) atoms. In the third O site, O(3) is bonded to one K(1), one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of edge and corner-sharing OKMgMn3 square pyramids. In the fourth O site, O(3) is bonded to one K(1), one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted edge and corner-sharing OKMgMn3 square pyramids.