MgMn4(HO4)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with four equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(2)O5 square pyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-48°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with four equivalent Mn(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mn site, Mn(2) is bonded to one O(6), two equivalent O(4), and two equivalent O(7) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-67°. In the third Mn site, Mn(3) is bonded to one O(3), one O(7), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O5 square pyramids, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O5 square pyramids, edges with two equivalent Mn(4)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mn(1), two equivalent Mn(3), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Mg(1), two equivalent Mn(4), and one H(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(2) atoms to form distorted OMgMn3 tetrahedra that share corners with two equivalent O(4)MgMn3 tetrahedra, corners with two equivalent O(8)MgMn3 trigonal pyramids, and edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(4) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with two equivalent O(8)MgMn3 trigonal pyramids, edges with two equivalent O(4)MgMn3 tetrahedra, edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(8)MgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(1) atoms to form OMgMn3 trigonal pyramids that share corners with two equivalent O(4)MgMn3 tetrahedra, corners with two equivalent O(5)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(8)MgMn3 trigonal pyramids, and edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids.
MgMn4(HO4)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with four equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(2)O5 square pyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-48°. The Mg(1)-O(4) bond length is 2.01 Å. The Mg(1)-O(8) bond length is 2.05 Å. Both Mg(1)-O(2) bond lengths are 2.08 Å. Both Mg(1)-O(5) bond lengths are 2.14 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with four equivalent Mn(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Mn(1)-O(1) bond length is 2.29 Å. The Mn(1)-O(5) bond length is 2.20 Å. Both Mn(1)-O(3) bond lengths are 1.98 Å. Both Mn(1)-O(8) bond lengths are 1.99 Å. In the second Mn site, Mn(2) is bonded to one O(6), two equivalent O(4), and two equivalent O(7) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-67°. The Mn(2)-O(6) bond length is 2.15 Å. Both Mn(2)-O(4) bond lengths are 1.97 Å. Both Mn(2)-O(7) bond lengths are 1.97 Å. In the third Mn site, Mn(3) is bonded to one O(3), one O(7), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O5 square pyramids, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The Mn(3)-O(3) bond length is 2.04 Å. The Mn(3)-O(7) bond length is 1.99 Å. Both Mn(3)-O(1) bond lengths are 2.02 Å. Both Mn(3)-O(6) bond lengths are 1.94 Å. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O5 square pyramids, edges with two equivalent Mn(4)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. The Mn(4)-O(4) bond length is 2.21 Å. The Mn(4)-O(8) bond length is 2.06 Å. Both Mn(4)-O(2) bond lengths are 2.38 Å. Both Mn(4)-O(5) bond lengths are 2.12 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mn(1), two equivalent Mn(3), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Mg(1), two equivalent Mn(4), and one H(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(2) atoms to form distorted OMgMn3 tetrahedra that share corners with two equivalent O(4)MgMn3 tetrahedra, corners with two equivalent O(8)MgMn3 trigonal pyramids, and edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(4) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with two equivalent O(8)MgMn3 trigonal pyramids, edges with two equivalent O(4)MgMn3 tetrahedra, edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(8)MgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(1) atoms to form OMgMn3 trigonal pyramids that share corners with two equivalent O(4)MgMn3 tetrahedra, corners with two equivalent O(5)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(8)MgMn3 trigonal pyramids, and edges with two equivalent O(5)Mg2Mn3 trigonal bipyramids.