The material described by Fe5Cu2(PO4)6 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(6), one O(8), one O(9), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 65°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(11) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 65°. Cu(1) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(8) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 22-60°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 33-61°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(11), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and  a cornercorner with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 23-56°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Cu(1), and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(2), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Cu(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(3), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5Cu2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   8.053
_cell_length_c   9.458
_cell_angle_alpha   105.657
_cell_angle_beta   107.450
_cell_angle_gamma   101.097
_symmetry_Int_Tables_number   1
_cell_volume   423.120
_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
  Fe  Fe0  1  0.384  0.453  0.116  1.0
  Fe  Fe1  1  0.049  0.721  0.526  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.616  0.547  0.884  1.0
  Fe  Fe4  1  0.951  0.279  0.474  1.0
  Cu  Cu5  1  0.740  0.195  0.730  1.0
  Cu  Cu6  1  0.260  0.805  0.270  1.0
  P  P7  1  0.400  0.228  0.370  1.0
  P  P8  1  0.232  0.148  0.771  1.0
  P  P9  1  0.906  0.407  0.169  1.0
  P  P10  1  0.768  0.852  0.229  1.0
  P  P11  1  0.094  0.593  0.831  1.0
  P  P12  1  0.600  0.772  0.630  1.0
  O  O13  1  0.122  0.534  0.163  1.0
  O  O14  1  0.794  0.051  0.295  1.0
  O  O15  1  0.637  0.243  0.491  1.0
  O  O16  1  0.248  0.275  0.464  1.0
  O  O17  1  0.980  0.806  0.333  1.0
  O  O18  1  0.562  0.640  0.718  1.0
  O  O19  1  0.878  0.466  0.837  1.0
  O  O20  1  0.689  0.461  0.085  1.0
  O  O21  1  0.462  0.263  0.771  1.0
  O  O22  1  0.768  0.800  0.057  1.0
  O  O23  1  0.886  0.213  0.085  1.0
  O  O24  1  0.363  0.757  0.509  1.0
  O  O25  1  0.931  0.451  0.346  1.0
  O  O26  1  0.069  0.549  0.654  1.0
  O  O27  1  0.020  0.194  0.667  1.0
  O  O28  1  0.538  0.737  0.229  1.0
  O  O29  1  0.114  0.787  0.915  1.0
  O  O30  1  0.752  0.725  0.536  1.0
  O  O31  1  0.438  0.360  0.282  1.0
  O  O32  1  0.232  0.200  0.943  1.0
  O  O33  1  0.281  0.036  0.239  1.0
  O  O34  1  0.311  0.539  0.915  1.0
  O  O35  1  0.206  0.949  0.705  1.0
  O  O36  1  0.719  0.964  0.761  1.0
[/CIF]
.
The material described by Fe5Cu2(PO4)6 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(6), one O(8), one O(9), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 65°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(11) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 65°. Cu(1) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(8) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 22-60°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 33-61°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(11), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and  a cornercorner with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 23-56°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Cu(1), and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(2), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Cu(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(3), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5Cu2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   8.053
_cell_length_c   9.458
_cell_angle_alpha   105.657
_cell_angle_beta   107.450
_cell_angle_gamma   101.097
_symmetry_Int_Tables_number   1
_cell_volume   423.120
_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
  Fe  Fe0  1  0.384  0.453  0.116  1.0
  Fe  Fe1  1  0.049  0.721  0.526  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.616  0.547  0.884  1.0
  Fe  Fe4  1  0.951  0.279  0.474  1.0
  Cu  Cu5  1  0.740  0.195  0.730  1.0
  Cu  Cu6  1  0.260  0.805  0.270  1.0
  P  P7  1  0.400  0.228  0.370  1.0
  P  P8  1  0.232  0.148  0.771  1.0
  P  P9  1  0.906  0.407  0.169  1.0
  P  P10  1  0.768  0.852  0.229  1.0
  P  P11  1  0.094  0.593  0.831  1.0
  P  P12  1  0.600  0.772  0.630  1.0
  O  O13  1  0.122  0.534  0.163  1.0
  O  O14  1  0.794  0.051  0.295  1.0
  O  O15  1  0.637  0.243  0.491  1.0
  O  O16  1  0.248  0.275  0.464  1.0
  O  O17  1  0.980  0.806  0.333  1.0
  O  O18  1  0.562  0.640  0.718  1.0
  O  O19  1  0.878  0.466  0.837  1.0
  O  O20  1  0.689  0.461  0.085  1.0
  O  O21  1  0.462  0.263  0.771  1.0
  O  O22  1  0.768  0.800  0.057  1.0
  O  O23  1  0.886  0.213  0.085  1.0
  O  O24  1  0.363  0.757  0.509  1.0
  O  O25  1  0.931  0.451  0.346  1.0
  O  O26  1  0.069  0.549  0.654  1.0
  O  O27  1  0.020  0.194  0.667  1.0
  O  O28  1  0.538  0.737  0.229  1.0
  O  O29  1  0.114  0.787  0.915  1.0
  O  O30  1  0.752  0.725  0.536  1.0
  O  O31  1  0.438  0.360  0.282  1.0
  O  O32  1  0.232  0.200  0.943  1.0
  O  O33  1  0.281  0.036  0.239  1.0
  O  O34  1  0.311  0.539  0.915  1.0
  O  O35  1  0.206  0.949  0.705  1.0
  O  O36  1  0.719  0.964  0.761  1.0
[/CIF]
.