The material described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.841
_cell_length_b   13.834
_cell_length_c   3.381
_cell_angle_alpha   88.791
_cell_angle_beta   91.183
_cell_angle_gamma   119.806
_symmetry_Int_Tables_number   1
_cell_volume   561.522
_cell_formula_units_Z   9
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.241  0.782  0.074  1.0
  Cu  Cu1  1  0.213  0.456  0.002  1.0
  Cu  Cu2  1  0.213  0.094  0.021  1.0
  Cu  Cu3  1  0.542  0.759  0.941  1.0
  Cu  Cu4  1  0.573  0.462  0.937  1.0
  Cu  Cu5  1  0.539  0.113  0.080  1.0
  Cu  Cu6  1  0.881  0.788  0.952  1.0
  Cu  Cu7  1  0.888  0.425  0.950  1.0
  Cu  Cu8  1  0.906  0.118  0.033  1.0
  C  C9  1  0.004  0.669  0.003  1.0
  C  C10  1  0.333  0.667  0.001  1.0
  C  C11  1  0.664  0.996  0.006  1.0
  C  C12  1  0.330  0.335  0.991  1.0
  C  C13  1  0.327  0.998  0.522  1.0
  C  C14  1  0.670  0.673  0.475  1.0
  C  C15  1  0.666  0.333  0.999  1.0
  C  C16  1  1.000  1.000  0.004  1.0
  C  C17  1  0.001  0.329  0.507  1.0
  O  O18  1  0.027  0.923  0.014  1.0
  O  O19  1  0.096  0.761  0.066  1.0
  O  O20  1  0.005  0.576  0.989  1.0
  O  O21  1  0.299  0.894  0.547  1.0
  O  O22  1  0.105  0.406  0.518  1.0
  O  O23  1  0.226  0.605  0.021  1.0
  O  O24  1  0.379  0.773  0.057  1.0
  O  O25  1  0.075  0.104  0.018  1.0
  O  O26  1  0.571  0.995  0.028  1.0
  O  O27  1  0.238  0.335  0.037  1.0
  O  O28  1  0.395  0.624  0.924  1.0
  O  O29  1  0.423  0.429  0.971  1.0
  O  O30  1  0.665  0.905  0.934  1.0
  O  O31  1  0.331  0.243  0.967  1.0
  O  O32  1  0.253  0.030  0.521  1.0
  O  O33  1  0.594  0.701  0.449  1.0
  O  O34  1  0.433  0.074  0.506  1.0
  O  O35  1  0.640  0.567  0.489  1.0
  O  O36  1  0.776  0.747  0.482  1.0
  O  O37  1  0.896  0.973  0.979  1.0
  O  O38  1  0.567  0.320  0.020  1.0
  O  O39  1  0.751  0.432  0.993  1.0
  O  O40  1  0.679  0.247  0.982  1.0
  O  O41  1  0.911  0.668  0.955  1.0
  O  O42  1  0.756  0.088  0.056  1.0
  O  O43  1  0.924  0.358  0.501  1.0
  O  O44  1  0.971  0.224  0.500  1.0
[/CIF]
.
The material described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.841
_cell_length_b   13.834
_cell_length_c   3.381
_cell_angle_alpha   88.791
_cell_angle_beta   91.183
_cell_angle_gamma   119.806
_symmetry_Int_Tables_number   1
_cell_volume   561.522
_cell_formula_units_Z   9
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.241  0.782  0.074  1.0
  Cu  Cu1  1  0.213  0.456  0.002  1.0
  Cu  Cu2  1  0.213  0.094  0.021  1.0
  Cu  Cu3  1  0.542  0.759  0.941  1.0
  Cu  Cu4  1  0.573  0.462  0.937  1.0
  Cu  Cu5  1  0.539  0.113  0.080  1.0
  Cu  Cu6  1  0.881  0.788  0.952  1.0
  Cu  Cu7  1  0.888  0.425  0.950  1.0
  Cu  Cu8  1  0.906  0.118  0.033  1.0
  C  C9  1  0.004  0.669  0.003  1.0
  C  C10  1  0.333  0.667  0.001  1.0
  C  C11  1  0.664  0.996  0.006  1.0
  C  C12  1  0.330  0.335  0.991  1.0
  C  C13  1  0.327  0.998  0.522  1.0
  C  C14  1  0.670  0.673  0.475  1.0
  C  C15  1  0.666  0.333  0.999  1.0
  C  C16  1  1.000  1.000  0.004  1.0
  C  C17  1  0.001  0.329  0.507  1.0
  O  O18  1  0.027  0.923  0.014  1.0
  O  O19  1  0.096  0.761  0.066  1.0
  O  O20  1  0.005  0.576  0.989  1.0
  O  O21  1  0.299  0.894  0.547  1.0
  O  O22  1  0.105  0.406  0.518  1.0
  O  O23  1  0.226  0.605  0.021  1.0
  O  O24  1  0.379  0.773  0.057  1.0
  O  O25  1  0.075  0.104  0.018  1.0
  O  O26  1  0.571  0.995  0.028  1.0
  O  O27  1  0.238  0.335  0.037  1.0
  O  O28  1  0.395  0.624  0.924  1.0
  O  O29  1  0.423  0.429  0.971  1.0
  O  O30  1  0.665  0.905  0.934  1.0
  O  O31  1  0.331  0.243  0.967  1.0
  O  O32  1  0.253  0.030  0.521  1.0
  O  O33  1  0.594  0.701  0.449  1.0
  O  O34  1  0.433  0.074  0.506  1.0
  O  O35  1  0.640  0.567  0.489  1.0
  O  O36  1  0.776  0.747  0.482  1.0
  O  O37  1  0.896  0.973  0.979  1.0
  O  O38  1  0.567  0.320  0.020  1.0
  O  O39  1  0.751  0.432  0.993  1.0
  O  O40  1  0.679  0.247  0.982  1.0
  O  O41  1  0.911  0.668  0.955  1.0
  O  O42  1  0.756  0.088  0.056  1.0
  O  O43  1  0.924  0.358  0.501  1.0
  O  O44  1  0.971  0.224  0.500  1.0
[/CIF]
.