Sr2CuCO5 crystallizes in the tetragonal I-4 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), one Sr(4), two equivalent Sr(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Sr(3), one Sr(4), two equivalent Sr(2), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), two equivalent Sr(4), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), one Sr(3), and one C(1) atom.
Sr2CuCO5 crystallizes in the tetragonal I-4 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Both Sr(1)-O(3) bond lengths are 2.64 Å. Both Sr(1)-O(4) bond lengths are 2.96 Å. Both Sr(1)-O(5) bond lengths are 3.17 Å. There are two shorter (2.55 Å) and two longer (2.72 Å) Sr(1)-O(1) bond lengths. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(2) atoms. Both Sr(2)-O(4) bond lengths are 2.78 Å. Both Sr(2)-O(5) bond lengths are 2.73 Å. There are two shorter (2.54 Å) and two longer (2.73 Å) Sr(2)-O(2) bond lengths. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Both Sr(3)-O(1) bond lengths are 2.61 Å. Both Sr(3)-O(2) bond lengths are 2.62 Å. Both Sr(3)-O(3) bond lengths are 2.57 Å. Both Sr(3)-O(5) bond lengths are 2.59 Å. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Both Sr(4)-O(1) bond lengths are 2.60 Å. Both Sr(4)-O(2) bond lengths are 2.59 Å. There are two shorter (2.86 Å) and two longer (3.02 Å) Sr(4)-O(4) bond lengths. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(1)-O(1) bond lengths are 1.97 Å. There is one shorter (1.97 Å) and one longer (1.98 Å) Cu(1)-O(2) bond length. C(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. The C(1)-O(3) bond length is 1.29 Å. The C(1)-O(4) bond length is 1.31 Å. The C(1)-O(5) bond length is 1.30 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), one Sr(4), two equivalent Sr(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Sr(3), one Sr(4), two equivalent Sr(2), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), two equivalent Sr(4), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), one Sr(3), and one C(1) atom.