The compound described by FeCoOPO4 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. P(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Fe(1) and two equivalent Co(1) atoms to form distorted corner-sharing OFe2Co2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one P(1) atom. is represented by the CIF file [CIF]
data_FeCoPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.530
_cell_length_b   7.416
_cell_length_c   7.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.206
_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  0.750  0.848  0.716  1.0
  Fe  Fe1  1  0.250  0.152  0.284  1.0
  Fe  Fe2  1  0.750  0.348  0.784  1.0
  Fe  Fe3  1  0.250  0.652  0.216  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  P  P8  1  0.750  0.623  0.133  1.0
  P  P9  1  0.250  0.377  0.867  1.0
  P  P10  1  0.750  0.123  0.367  1.0
  P  P11  1  0.250  0.877  0.633  1.0
  O  O12  1  0.750  0.596  0.643  1.0
  O  O13  1  0.250  0.404  0.357  1.0
  O  O14  1  0.750  0.096  0.857  1.0
  O  O15  1  0.250  0.904  0.143  1.0
  O  O16  1  0.750  0.794  0.011  1.0
  O  O17  1  0.250  0.206  0.989  1.0
  O  O18  1  0.750  0.294  0.489  1.0
  O  O19  1  0.250  0.706  0.511  1.0
  O  O20  1  0.750  0.950  0.478  1.0
  O  O21  1  0.250  0.050  0.522  1.0
  O  O22  1  0.750  0.450  0.022  1.0
  O  O23  1  0.250  0.550  0.978  1.0
  O  O24  1  0.941  0.630  0.257  1.0
  O  O25  1  0.441  0.370  0.743  1.0
  O  O26  1  0.559  0.130  0.243  1.0
  O  O27  1  0.059  0.870  0.757  1.0
  O  O28  1  0.059  0.370  0.743  1.0
  O  O29  1  0.559  0.630  0.257  1.0
  O  O30  1  0.441  0.870  0.757  1.0
  O  O31  1  0.941  0.130  0.243  1.0
[/CIF]
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The compound described by FeCoOPO4 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. P(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Fe(1) and two equivalent Co(1) atoms to form distorted corner-sharing OFe2Co2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one P(1) atom. is represented by the CIF file [CIF]
data_FeCoPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.530
_cell_length_b   7.416
_cell_length_c   7.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.206
_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  0.750  0.848  0.716  1.0
  Fe  Fe1  1  0.250  0.152  0.284  1.0
  Fe  Fe2  1  0.750  0.348  0.784  1.0
  Fe  Fe3  1  0.250  0.652  0.216  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  P  P8  1  0.750  0.623  0.133  1.0
  P  P9  1  0.250  0.377  0.867  1.0
  P  P10  1  0.750  0.123  0.367  1.0
  P  P11  1  0.250  0.877  0.633  1.0
  O  O12  1  0.750  0.596  0.643  1.0
  O  O13  1  0.250  0.404  0.357  1.0
  O  O14  1  0.750  0.096  0.857  1.0
  O  O15  1  0.250  0.904  0.143  1.0
  O  O16  1  0.750  0.794  0.011  1.0
  O  O17  1  0.250  0.206  0.989  1.0
  O  O18  1  0.750  0.294  0.489  1.0
  O  O19  1  0.250  0.706  0.511  1.0
  O  O20  1  0.750  0.950  0.478  1.0
  O  O21  1  0.250  0.050  0.522  1.0
  O  O22  1  0.750  0.450  0.022  1.0
  O  O23  1  0.250  0.550  0.978  1.0
  O  O24  1  0.941  0.630  0.257  1.0
  O  O25  1  0.441  0.370  0.743  1.0
  O  O26  1  0.559  0.130  0.243  1.0
  O  O27  1  0.059  0.870  0.757  1.0
  O  O28  1  0.059  0.370  0.743  1.0
  O  O29  1  0.559  0.630  0.257  1.0
  O  O30  1  0.441  0.870  0.757  1.0
  O  O31  1  0.941  0.130  0.243  1.0
[/CIF]
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