MgCu2(PO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(1) atom.
MgCu2(PO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. The Mg(1)-O(1) bond length is 2.35 Å. The Mg(1)-O(2) bond length is 2.04 Å. The Mg(1)-O(3) bond length is 2.04 Å. The Mg(1)-O(4) bond length is 2.20 Å. The Mg(1)-O(5) bond length is 2.20 Å. The Mg(1)-O(7) bond length is 2.33 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. The Cu(1)-O(1) bond length is 1.97 Å. The Cu(1)-O(2) bond length is 2.07 Å. The Cu(1)-O(3) bond length is 2.07 Å. The Cu(1)-O(7) bond length is 1.97 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), one O(6), and one O(8) atom. The Cu(2)-O(4) bond length is 2.02 Å. The Cu(2)-O(5) bond length is 2.02 Å. The Cu(2)-O(6) bond length is 1.89 Å. The Cu(2)-O(8) bond length is 1.89 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(6) bond length is 1.54 Å. The P(1)-O(8) bond length is 1.54 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(7) atom. The P(2)-O(1) bond length is 1.57 Å. The P(2)-O(4) bond length is 1.56 Å. The P(2)-O(5) bond length is 1.56 Å. The P(2)-O(7) bond length is 1.57 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(1) atom.