CuCO3 crystallizes in the triclinic P1 space group. There are nine inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(6), one O(7), and two equivalent O(4) atoms to form distorted corner-sharing CuO5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(6), and two equivalent O(5) atoms. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one O(14), one O(8), and two equivalent O(15) atoms. In the fourth Cu site, Cu(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(7), and two equivalent O(16) atoms. In the fifth Cu site, Cu(5) is bonded to one O(12), one O(21), and two equivalent O(18) atoms to form distorted corner-sharing CuO4 tetrahedra. In the sixth Cu site, Cu(6) is bonded in a 4-coordinate geometry to one O(23), one O(9), and two equivalent O(17) atoms. In the seventh Cu site, Cu(7) is bonded in a 5-coordinate geometry to one O(1), one O(20), one O(24), and two equivalent O(19) atoms. In the eighth Cu site, Cu(8) is bonded to one O(22), one O(3), and two equivalent O(26) atoms to form distorted corner-sharing CuO4 tetrahedra. In the ninth Cu site, Cu(9) is bonded in a 5-coordinate geometry to one O(20), one O(25), one O(8), and two equivalent O(27) atoms. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(7) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(13), one O(25), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(14) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(15), one O(17), and one O(4) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(16), one O(18), and one O(19) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(23) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(1), one O(20), and one O(8) atom. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one O(26), one O(27), and one O(5) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(3), one Cu(7), and one C(8) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(8) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one C(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one C(9) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(4), and one C(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(3), one Cu(9), and one C(8) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cu(6) and one C(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(4), and one C(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(5) and one C(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one C(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to two equivalent Cu(4) and one C(6) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to two equivalent Cu(6) and one C(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to two equivalent Cu(5) and one C(6) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to two equivalent Cu(7) and one C(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Cu(7), one Cu(9), and one C(8) atom. In the twenty-first O site, O(21) is bonded in a distorted water-like geometry to one Cu(5) and one C(7) atom. In the twenty-second O site, O(22) is bonded in a distorted water-like geometry to one Cu(8) and one C(7) atom. In the twenty-third O site, O(23) is bonded in a water-like geometry to one Cu(6) and one C(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Cu(7) and one C(1) atom. In the twenty-fifth O site, O(25) is bonded in a bent 120 degrees geometry to one Cu(9) and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to two equivalent Cu(8) and one C(9) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to two equivalent Cu(9) and one C(9) atom.
CuCO3 crystallizes in the triclinic P1 space group. There are nine inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(6), one O(7), and two equivalent O(4) atoms to form distorted corner-sharing CuO5 trigonal bipyramids. The Cu(1)-O(2) bond length is 1.88 Å. The Cu(1)-O(6) bond length is 2.36 Å. The Cu(1)-O(7) bond length is 1.97 Å. There is one shorter (2.10 Å) and one longer (2.22 Å) Cu(1)-O(4) bond length. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(6), and two equivalent O(5) atoms. The Cu(2)-O(10) bond length is 1.88 Å. The Cu(2)-O(11) bond length is 2.44 Å. The Cu(2)-O(6) bond length is 1.98 Å. There is one shorter (2.08 Å) and one longer (2.19 Å) Cu(2)-O(5) bond length. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one O(14), one O(8), and two equivalent O(15) atoms. The Cu(3)-O(1) bond length is 2.49 Å. The Cu(3)-O(14) bond length is 1.90 Å. The Cu(3)-O(8) bond length is 1.98 Å. There is one shorter (2.08 Å) and one longer (2.13 Å) Cu(3)-O(15) bond length. In the fourth Cu site, Cu(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(7), and two equivalent O(16) atoms. The Cu(4)-O(11) bond length is 1.97 Å. The Cu(4)-O(13) bond length is 1.88 Å. The Cu(4)-O(7) bond length is 2.40 Å. There is one shorter (2.14 Å) and one longer (2.15 Å) Cu(4)-O(16) bond length. In the fifth Cu site, Cu(5) is bonded to one O(12), one O(21), and two equivalent O(18) atoms to form distorted corner-sharing CuO4 tetrahedra. The Cu(5)-O(12) bond length is 1.90 Å. The Cu(5)-O(21) bond length is 1.93 Å. There is one shorter (1.97 Å) and one longer (2.27 Å) Cu(5)-O(18) bond length. In the sixth Cu site, Cu(6) is bonded in a 4-coordinate geometry to one O(23), one O(9), and two equivalent O(17) atoms. The Cu(6)-O(23) bond length is 1.93 Å. The Cu(6)-O(9) bond length is 1.91 Å. There is one shorter (1.95 Å) and one longer (2.32 Å) Cu(6)-O(17) bond length. In the seventh Cu site, Cu(7) is bonded in a 5-coordinate geometry to one O(1), one O(20), one O(24), and two equivalent O(19) atoms. The Cu(7)-O(1) bond length is 1.97 Å. The Cu(7)-O(20) bond length is 2.46 Å. The Cu(7)-O(24) bond length is 1.90 Å. There is one shorter (2.02 Å) and one longer (2.21 Å) Cu(7)-O(19) bond length. In the eighth Cu site, Cu(8) is bonded to one O(22), one O(3), and two equivalent O(26) atoms to form distorted corner-sharing CuO4 tetrahedra. The Cu(8)-O(22) bond length is 1.94 Å. The Cu(8)-O(3) bond length is 1.90 Å. There is one shorter (1.99 Å) and one longer (2.22 Å) Cu(8)-O(26) bond length. In the ninth Cu site, Cu(9) is bonded in a 5-coordinate geometry to one O(20), one O(25), one O(8), and two equivalent O(27) atoms. The Cu(9)-O(20) bond length is 1.96 Å. The Cu(9)-O(25) bond length is 1.90 Å. The Cu(9)-O(8) bond length is 2.45 Å. There is one shorter (2.04 Å) and one longer (2.20 Å) Cu(9)-O(27) bond length. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(3) atom. The C(1)-O(2) bond length is 1.29 Å. The C(1)-O(24) bond length is 1.29 Å. The C(1)-O(3) bond length is 1.29 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(7) atom. The C(2)-O(11) bond length is 1.29 Å. The C(2)-O(6) bond length is 1.29 Å. The C(2)-O(7) bond length is 1.29 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(13), one O(25), and one O(9) atom. The C(3)-O(13) bond length is 1.29 Å. The C(3)-O(25) bond length is 1.29 Å. The C(3)-O(9) bond length is 1.29 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(14) atom. The C(4)-O(10) bond length is 1.29 Å. The C(4)-O(12) bond length is 1.30 Å. The C(4)-O(14) bond length is 1.29 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(15), one O(17), and one O(4) atom. The C(5)-O(15) bond length is 1.31 Å. The C(5)-O(17) bond length is 1.31 Å. The C(5)-O(4) bond length is 1.29 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(16), one O(18), and one O(19) atom. The C(6)-O(16) bond length is 1.29 Å. The C(6)-O(18) bond length is 1.31 Å. The C(6)-O(19) bond length is 1.30 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(23) atom. The C(7)-O(21) bond length is 1.30 Å. The C(7)-O(22) bond length is 1.29 Å. The C(7)-O(23) bond length is 1.29 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(1), one O(20), and one O(8) atom. The C(8)-O(1) bond length is 1.29 Å. The C(8)-O(20) bond length is 1.29 Å. The C(8)-O(8) bond length is 1.29 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one O(26), one O(27), and one O(5) atom. The C(9)-O(26) bond length is 1.32 Å. The C(9)-O(27) bond length is 1.30 Å. The C(9)-O(5) bond length is 1.29 Å. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(3), one Cu(7), and one C(8) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(8) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one C(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one C(9) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(4), and one C(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(3), one Cu(9), and one C(8) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cu(6) and one C(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(4), and one C(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(5) and one C(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one C(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to two equivalent Cu(4) and one C(6) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to two equivalent Cu(6) and one C(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to two equivalent Cu(5) and one C(6) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to two equivalent Cu(7) and one C(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Cu(7), one Cu(9), and one C(8) atom. In the twenty-first O site, O(21) is bonded in a distorted water-like geometry to one Cu(5) and one C(7) atom. In the twenty-second O site, O(22) is bonded in a distorted water-like geometry to one Cu(8) and one C(7) atom. In the twenty-third O site, O(23) is bonded in a water-like geometry to one Cu(6) and one C(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Cu(7) and one C(1) atom. In the twenty-fifth O site, O(25) is bonded in a bent 120 degrees geometry to one Cu(9) and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to two equivalent Cu(8) and one C(9) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to two equivalent Cu(9) and one C(9) atom.