MgMnO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Mg site, Mg(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(2), one Mn(1), and two equivalent Mn(2) atoms to form distorted edge-sharing OMg2Mn3 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mn(2) atoms.
MgMnO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. The Mg(1)-O(1) bond length is 2.11 Å. There is one shorter (2.01 Å) and one longer (2.14 Å) Mg(1)-O(3) bond length. There is one shorter (1.95 Å) and one longer (2.41 Å) Mg(1)-O(4) bond length. In the second Mg site, Mg(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. The Mg(2)-O(3) bond length is 2.04 Å. The Mg(2)-O(4) bond length is 2.07 Å. There is one shorter (1.85 Å) and one longer (2.22 Å) Mg(2)-O(2) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Mn(1)-O(2) bond length is 2.34 Å. There is one shorter (1.70 Å) and one longer (2.48 Å) Mn(1)-O(1) bond length. There is one shorter (2.05 Å) and one longer (2.65 Å) Mn(1)-O(3) bond length. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. The Mn(2)-O(1) bond length is 2.13 Å. There is one shorter (2.12 Å) and one longer (2.31 Å) Mn(2)-O(2) bond length. There is one shorter (2.04 Å) and one longer (2.57 Å) Mn(2)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(2), one Mn(1), and two equivalent Mn(2) atoms to form distorted edge-sharing OMg2Mn3 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mn(2) atoms.