CaPr3(CoO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Pr(1), and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Pr(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Pr(1), one Pr(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one Pr(1), one Pr(3), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Pr(2), one Pr(3), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one Co(1), and one Co(2) atom.
CaPr3(CoO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. The Ca(1)-O(1) bond length is 2.45 Å. The Ca(1)-O(2) bond length is 2.34 Å. Both Ca(1)-O(5) bond lengths are 2.42 Å. Both Ca(1)-O(6) bond lengths are 2.64 Å. Both Ca(1)-O(7) bond lengths are 2.74 Å. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. The Pr(1)-O(1) bond length is 2.40 Å. The Pr(1)-O(2) bond length is 2.52 Å. Both Pr(1)-O(5) bond lengths are 2.58 Å. Both Pr(1)-O(6) bond lengths are 2.43 Å. Both Pr(1)-O(8) bond lengths are 2.71 Å. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. The Pr(2)-O(3) bond length is 2.51 Å. The Pr(2)-O(4) bond length is 2.40 Å. Both Pr(2)-O(5) bond lengths are 2.71 Å. Both Pr(2)-O(7) bond lengths are 2.44 Å. Both Pr(2)-O(8) bond lengths are 2.59 Å. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. The Pr(3)-O(3) bond length is 2.41 Å. The Pr(3)-O(4) bond length is 2.54 Å. Both Pr(3)-O(6) bond lengths are 2.65 Å. Both Pr(3)-O(7) bond lengths are 2.54 Å. Both Pr(3)-O(8) bond lengths are 2.44 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. The Co(1)-O(2) bond length is 1.94 Å. The Co(1)-O(4) bond length is 1.98 Å. The Co(1)-O(5) bond length is 1.96 Å. The Co(1)-O(6) bond length is 1.95 Å. The Co(1)-O(7) bond length is 1.96 Å. The Co(1)-O(8) bond length is 1.97 Å. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. The Co(2)-O(1) bond length is 1.93 Å. The Co(2)-O(3) bond length is 1.98 Å. The Co(2)-O(5) bond length is 1.98 Å. The Co(2)-O(6) bond length is 1.96 Å. The Co(2)-O(7) bond length is 1.98 Å. The Co(2)-O(8) bond length is 1.97 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Pr(1), and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Pr(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Pr(1), one Pr(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one Pr(1), one Pr(3), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Pr(2), one Pr(3), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one Co(1), and one Co(2) atom.