The crystal structure described by Cu2FeBO5 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra and edges with two equivalent Cu(1)O6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form distorted CuO6 octahedra that share edges with two equivalent Cu(1)O6 octahedra and edges with four equivalent Fe(1)O6 octahedra. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Cu(1), and one B(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1), one Cu(2), and one Cu(3) atom. In the third O site, O(2) is bonded to two equivalent Fe(1), one Cu(1), and one Cu(2) atom to form distorted corner-sharing OFe2Cu2 tetrahedra. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Cu(3), two equivalent Cu(2), and one B(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), two equivalent Cu(2), and one B(1) atom. is represented by the CIF card [CIF]
data_FeCu2BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.189
_cell_length_b   3.135
_cell_length_c   9.651
_cell_angle_alpha   82.326
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   365.522
_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  0.618  0.944  0.734  1.0
  Fe  Fe1  1  0.118  0.056  0.766  1.0
  Fe  Fe2  1  0.382  0.056  0.266  1.0
  Fe  Fe3  1  0.882  0.944  0.234  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.277  0.545  0.010  1.0
  Cu  Cu7  1  0.777  0.455  0.490  1.0
  Cu  Cu8  1  0.723  0.455  0.990  1.0
  Cu  Cu9  1  0.223  0.545  0.510  1.0
  Cu  Cu10  1  0.500  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  B  B12  1  0.366  0.048  0.737  1.0
  B  B13  1  0.866  0.952  0.763  1.0
  B  B14  1  0.634  0.952  0.263  1.0
  B  B15  1  0.134  0.048  0.237  1.0
  O  O16  1  0.412  0.602  0.127  1.0
  O  O17  1  0.912  0.398  0.373  1.0
  O  O18  1  0.588  0.398  0.873  1.0
  O  O19  1  0.088  0.602  0.627  1.0
  O  O20  1  0.645  0.491  0.599  1.0
  O  O21  1  0.145  0.509  0.901  1.0
  O  O22  1  0.355  0.509  0.401  1.0
  O  O23  1  0.855  0.491  0.099  1.0
  O  O24  1  0.369  0.962  0.881  1.0
  O  O25  1  0.869  0.038  0.619  1.0
  O  O26  1  0.631  0.038  0.119  1.0
  O  O27  1  0.131  0.962  0.381  1.0
  O  O28  1  0.234  0.117  0.172  1.0
  O  O29  1  0.734  0.883  0.328  1.0
  O  O30  1  0.766  0.883  0.828  1.0
  O  O31  1  0.266  0.117  0.672  1.0
  O  O32  1  0.462  0.053  0.660  1.0
  O  O33  1  0.962  0.947  0.840  1.0
  O  O34  1  0.538  0.947  0.340  1.0
  O  O35  1  0.038  0.053  0.160  1.0
[/CIF]
.
The crystal structure described by Cu2FeBO5 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra and edges with two equivalent Cu(1)O6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form distorted CuO6 octahedra that share edges with two equivalent Cu(1)O6 octahedra and edges with four equivalent Fe(1)O6 octahedra. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Cu(1), and one B(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1), one Cu(2), and one Cu(3) atom. In the third O site, O(2) is bonded to two equivalent Fe(1), one Cu(1), and one Cu(2) atom to form distorted corner-sharing OFe2Cu2 tetrahedra. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Cu(3), two equivalent Cu(2), and one B(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), two equivalent Cu(2), and one B(1) atom. is represented by the CIF card [CIF]
data_FeCu2BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.189
_cell_length_b   3.135
_cell_length_c   9.651
_cell_angle_alpha   82.326
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   365.522
_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  0.618  0.944  0.734  1.0
  Fe  Fe1  1  0.118  0.056  0.766  1.0
  Fe  Fe2  1  0.382  0.056  0.266  1.0
  Fe  Fe3  1  0.882  0.944  0.234  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.277  0.545  0.010  1.0
  Cu  Cu7  1  0.777  0.455  0.490  1.0
  Cu  Cu8  1  0.723  0.455  0.990  1.0
  Cu  Cu9  1  0.223  0.545  0.510  1.0
  Cu  Cu10  1  0.500  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  B  B12  1  0.366  0.048  0.737  1.0
  B  B13  1  0.866  0.952  0.763  1.0
  B  B14  1  0.634  0.952  0.263  1.0
  B  B15  1  0.134  0.048  0.237  1.0
  O  O16  1  0.412  0.602  0.127  1.0
  O  O17  1  0.912  0.398  0.373  1.0
  O  O18  1  0.588  0.398  0.873  1.0
  O  O19  1  0.088  0.602  0.627  1.0
  O  O20  1  0.645  0.491  0.599  1.0
  O  O21  1  0.145  0.509  0.901  1.0
  O  O22  1  0.355  0.509  0.401  1.0
  O  O23  1  0.855  0.491  0.099  1.0
  O  O24  1  0.369  0.962  0.881  1.0
  O  O25  1  0.869  0.038  0.619  1.0
  O  O26  1  0.631  0.038  0.119  1.0
  O  O27  1  0.131  0.962  0.381  1.0
  O  O28  1  0.234  0.117  0.172  1.0
  O  O29  1  0.734  0.883  0.328  1.0
  O  O30  1  0.766  0.883  0.828  1.0
  O  O31  1  0.266  0.117  0.672  1.0
  O  O32  1  0.462  0.053  0.660  1.0
  O  O33  1  0.962  0.947  0.840  1.0
  O  O34  1  0.538  0.947  0.340  1.0
  O  O35  1  0.038  0.053  0.160  1.0
[/CIF]
.