The compound described by Co4(CuO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the third Co site, Co(3) is bonded to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the fourth Co site, Co(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(9) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(11), one O(5), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Cu(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Cu(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.274
_cell_length_b   6.163
_cell_length_c   6.216
_cell_angle_alpha   70.468
_cell_angle_beta   110.099
_cell_angle_gamma   71.097
_symmetry_Int_Tables_number   1
_cell_volume   184.766
_cell_formula_units_Z   1
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
  Co  Co0  1  0.000  0.500  0.000  1.0
  Co  Co1  1  0.000  1.000  0.500  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  1.000  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  1.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.500  1.000  1.0
  O  O7  1  0.183  0.133  0.687  1.0
  O  O8  1  0.817  0.867  0.313  1.0
  O  O9  1  0.182  0.507  0.319  1.0
  O  O10  1  0.324  0.179  0.134  1.0
  O  O11  1  0.862  0.305  0.194  1.0
  O  O12  1  0.502  0.313  0.821  1.0
  O  O13  1  0.673  0.191  0.513  1.0
  O  O14  1  0.138  0.696  0.806  1.0
  O  O15  1  0.818  0.493  0.681  1.0
  O  O16  1  0.676  0.821  0.866  1.0
  O  O17  1  0.497  0.687  0.179  1.0
  O  O18  1  0.327  0.810  0.487  1.0
[/CIF]
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The compound described by Co4(CuO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the third Co site, Co(3) is bonded to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the fourth Co site, Co(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(9) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(11), one O(5), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Cu(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Cu(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.274
_cell_length_b   6.163
_cell_length_c   6.216
_cell_angle_alpha   70.468
_cell_angle_beta   110.099
_cell_angle_gamma   71.097
_symmetry_Int_Tables_number   1
_cell_volume   184.766
_cell_formula_units_Z   1
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
  Co  Co0  1  0.000  0.500  0.000  1.0
  Co  Co1  1  0.000  1.000  0.500  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  1.000  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  1.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.500  1.000  1.0
  O  O7  1  0.183  0.133  0.687  1.0
  O  O8  1  0.817  0.867  0.313  1.0
  O  O9  1  0.182  0.507  0.319  1.0
  O  O10  1  0.324  0.179  0.134  1.0
  O  O11  1  0.862  0.305  0.194  1.0
  O  O12  1  0.502  0.313  0.821  1.0
  O  O13  1  0.673  0.191  0.513  1.0
  O  O14  1  0.138  0.696  0.806  1.0
  O  O15  1  0.818  0.493  0.681  1.0
  O  O16  1  0.676  0.821  0.866  1.0
  O  O17  1  0.497  0.687  0.179  1.0
  O  O18  1  0.327  0.810  0.487  1.0
[/CIF]
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