The crystal structure described by Cu2FeSbO6 is Hausmannite-derived structured and crystallizes in the orthorhombic Ibca space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom to form distorted corner-sharing OFeCu2Sb tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_FeCu2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.397
_cell_length_b   8.397
_cell_length_c   8.397
_cell_angle_alpha   109.744
_cell_angle_beta   109.375
_cell_angle_gamma   109.295
_symmetry_Int_Tables_number   1
_cell_volume   455.774
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.461  0.250  0.711  1.0
  Fe  Fe1  1  0.039  0.750  0.789  1.0
  Fe  Fe2  1  0.539  0.750  0.289  1.0
  Fe  Fe3  1  0.961  0.250  0.211  1.0
  Cu  Cu4  1  0.721  0.471  0.250  1.0
  Cu  Cu5  1  0.779  0.029  0.750  1.0
  Cu  Cu6  1  0.250  0.723  0.473  1.0
  Cu  Cu7  1  0.750  0.777  0.027  1.0
  Cu  Cu8  1  0.279  0.529  0.750  1.0
  Cu  Cu9  1  0.221  0.971  0.250  1.0
  Cu  Cu10  1  0.750  0.277  0.527  1.0
  Cu  Cu11  1  0.250  0.223  0.973  1.0
  Sb  Sb12  1  0.000  0.500  0.000  1.0
  Sb  Sb13  1  0.500  0.000  0.000  1.0
  Sb  Sb14  1  0.000  0.000  0.500  1.0
  Sb  Sb15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.037  0.266  0.987  1.0
  O  O17  1  0.722  0.234  0.271  1.0
  O  O18  1  0.778  0.050  0.513  1.0
  O  O19  1  0.463  0.450  0.229  1.0
  O  O20  1  0.971  0.044  0.273  1.0
  O  O21  1  0.272  0.699  0.227  1.0
  O  O22  1  0.529  0.801  0.073  1.0
  O  O23  1  0.228  0.456  0.427  1.0
  O  O24  1  0.277  0.980  0.048  1.0
  O  O25  1  0.223  0.271  0.703  1.0
  O  O26  1  0.068  0.520  0.797  1.0
  O  O27  1  0.432  0.229  0.452  1.0
  O  O28  1  0.963  0.734  0.013  1.0
  O  O29  1  0.278  0.766  0.729  1.0
  O  O30  1  0.222  0.950  0.487  1.0
  O  O31  1  0.537  0.550  0.771  1.0
  O  O32  1  0.029  0.956  0.727  1.0
  O  O33  1  0.728  0.301  0.773  1.0
  O  O34  1  0.471  0.199  0.927  1.0
  O  O35  1  0.772  0.544  0.573  1.0
  O  O36  1  0.723  0.020  0.952  1.0
  O  O37  1  0.777  0.729  0.297  1.0
  O  O38  1  0.932  0.480  0.203  1.0
  O  O39  1  0.568  0.771  0.548  1.0
[/CIF]
.
The crystal structure described by Cu2FeSbO6 is Hausmannite-derived structured and crystallizes in the orthorhombic Ibca space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom to form distorted corner-sharing OFeCu2Sb tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_FeCu2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.397
_cell_length_b   8.397
_cell_length_c   8.397
_cell_angle_alpha   109.744
_cell_angle_beta   109.375
_cell_angle_gamma   109.295
_symmetry_Int_Tables_number   1
_cell_volume   455.774
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.461  0.250  0.711  1.0
  Fe  Fe1  1  0.039  0.750  0.789  1.0
  Fe  Fe2  1  0.539  0.750  0.289  1.0
  Fe  Fe3  1  0.961  0.250  0.211  1.0
  Cu  Cu4  1  0.721  0.471  0.250  1.0
  Cu  Cu5  1  0.779  0.029  0.750  1.0
  Cu  Cu6  1  0.250  0.723  0.473  1.0
  Cu  Cu7  1  0.750  0.777  0.027  1.0
  Cu  Cu8  1  0.279  0.529  0.750  1.0
  Cu  Cu9  1  0.221  0.971  0.250  1.0
  Cu  Cu10  1  0.750  0.277  0.527  1.0
  Cu  Cu11  1  0.250  0.223  0.973  1.0
  Sb  Sb12  1  0.000  0.500  0.000  1.0
  Sb  Sb13  1  0.500  0.000  0.000  1.0
  Sb  Sb14  1  0.000  0.000  0.500  1.0
  Sb  Sb15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.037  0.266  0.987  1.0
  O  O17  1  0.722  0.234  0.271  1.0
  O  O18  1  0.778  0.050  0.513  1.0
  O  O19  1  0.463  0.450  0.229  1.0
  O  O20  1  0.971  0.044  0.273  1.0
  O  O21  1  0.272  0.699  0.227  1.0
  O  O22  1  0.529  0.801  0.073  1.0
  O  O23  1  0.228  0.456  0.427  1.0
  O  O24  1  0.277  0.980  0.048  1.0
  O  O25  1  0.223  0.271  0.703  1.0
  O  O26  1  0.068  0.520  0.797  1.0
  O  O27  1  0.432  0.229  0.452  1.0
  O  O28  1  0.963  0.734  0.013  1.0
  O  O29  1  0.278  0.766  0.729  1.0
  O  O30  1  0.222  0.950  0.487  1.0
  O  O31  1  0.537  0.550  0.771  1.0
  O  O32  1  0.029  0.956  0.727  1.0
  O  O33  1  0.728  0.301  0.773  1.0
  O  O34  1  0.471  0.199  0.927  1.0
  O  O35  1  0.772  0.544  0.573  1.0
  O  O36  1  0.723  0.020  0.952  1.0
  O  O37  1  0.777  0.729  0.297  1.0
  O  O38  1  0.932  0.480  0.203  1.0
  O  O39  1  0.568  0.771  0.548  1.0
[/CIF]
.