Ba2MgYb(CuO2)4 crystallizes in the monoclinic P2/m space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Yb(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(4) and three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent Cu(2) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Yb(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, face, and edge-sharing OBa2Yb2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Yb(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, face, and edge-sharing OBa2Yb2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Cu(2) atom.
Ba2MgYb(CuO2)4 crystallizes in the monoclinic P2/m space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Both Ba(1)-O(2) bond lengths are 2.79 Å. There is one shorter (2.86 Å) and one longer (2.87 Å) Ba(1)-O(3) bond length. All Ba(1)-O(4) bond lengths are 2.82 Å. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 2.21 Å. Yb(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. All Yb(1)-O(2) bond lengths are 2.41 Å. There are two shorter (2.47 Å) and two longer (2.48 Å) Yb(1)-O(3) bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Cu(1)-O(2) bond lengths are 1.97 Å. Both Cu(1)-O(3) bond lengths are 1.87 Å. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(4) and three equivalent O(1) atoms. The Cu(2)-O(4) bond length is 1.82 Å. There are a spread of Cu(2)-O(1) bond distances ranging from 1.95-2.19 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent Cu(2) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Yb(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, face, and edge-sharing OBa2Yb2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Yb(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, face, and edge-sharing OBa2Yb2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Cu(2) atom.