Ca2MnGaO5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(1) atoms. Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 12°. Ga(1) is bonded to one O(1), one O(5), and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ca(2), one Mn(1), and one Ga(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), and two equivalent Ga(1) atoms to form distorted OCa2Ga2 tetrahedra that share corners with four equivalent O(3)Ca4Mn2 octahedra and corners with two equivalent O(2)Ca2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 18-80°. In the third O site, O(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mn(1) atoms to form distorted OCa4Mn2 octahedra that share corners with four equivalent O(2)Ca2Ga2 tetrahedra and faces with two equivalent O(3)Ca4Mn2 octahedra. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to three equivalent Ca(1), one Mn(1), and one Ga(1) atom.
Ca2MnGaO5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(5) atoms. The Ca(1)-O(2) bond length is 2.34 Å. There is one shorter (2.47 Å) and one longer (2.48 Å) Ca(1)-O(3) bond length. There is one shorter (2.49 Å) and one longer (2.66 Å) Ca(1)-O(4) bond length. There are a spread of Ca(1)-O(5) bond distances ranging from 2.31-2.94 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(1) atoms. The Ca(2)-O(2) bond length is 2.34 Å. There is one shorter (2.49 Å) and one longer (2.65 Å) Ca(2)-O(3) bond length. There is one shorter (2.47 Å) and one longer (2.48 Å) Ca(2)-O(4) bond length. There are a spread of Ca(2)-O(1) bond distances ranging from 2.31-2.94 Å. Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 12°. The Mn(1)-O(1) bond length is 2.17 Å. The Mn(1)-O(5) bond length is 2.17 Å. There is one shorter (1.92 Å) and one longer (1.94 Å) Mn(1)-O(3) bond length. There is one shorter (1.91 Å) and one longer (1.94 Å) Mn(1)-O(4) bond length. Ga(1) is bonded to one O(1), one O(5), and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. The Ga(1)-O(1) bond length is 1.82 Å. The Ga(1)-O(5) bond length is 1.82 Å. There is one shorter (1.89 Å) and one longer (1.90 Å) Ga(1)-O(2) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ca(2), one Mn(1), and one Ga(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), and two equivalent Ga(1) atoms to form distorted OCa2Ga2 tetrahedra that share corners with four equivalent O(3)Ca4Mn2 octahedra and corners with two equivalent O(2)Ca2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 18-80°. In the third O site, O(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mn(1) atoms to form distorted OCa4Mn2 octahedra that share corners with four equivalent O(2)Ca2Ga2 tetrahedra and faces with two equivalent O(3)Ca4Mn2 octahedra. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to three equivalent Ca(1), one Mn(1), and one Ga(1) atom.