The compound described by Co2PO5 crystallizes in the orthorhombic Imma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(2)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 are 55°. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Co(2) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Co2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.412
_cell_length_b   5.355
_cell_length_c   7.350
_cell_angle_alpha   111.460
_cell_angle_beta   111.637
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   182.041
_cell_formula_units_Z   2
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  0.000  0.000  1.0
  Co  Co1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.629  0.379  0.259  1.0
  P  P5  1  0.371  0.621  0.741  1.0
  O  O6  1  0.805  0.312  0.125  1.0
  O  O7  1  0.303  0.795  0.607  1.0
  O  O8  1  0.304  0.313  0.607  1.0
  O  O9  1  0.320  0.312  0.125  1.0
  O  O10  1  0.195  0.688  0.875  1.0
  O  O11  1  0.697  0.205  0.393  1.0
  O  O12  1  0.696  0.687  0.393  1.0
  O  O13  1  0.680  0.688  0.875  1.0
  O  O14  1  0.112  0.862  0.224  1.0
  O  O15  1  0.888  0.138  0.776  1.0
[/CIF]
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The compound described by Co2PO5 crystallizes in the orthorhombic Imma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(2)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 are 55°. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Co(2) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Co2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.412
_cell_length_b   5.355
_cell_length_c   7.350
_cell_angle_alpha   111.460
_cell_angle_beta   111.637
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   182.041
_cell_formula_units_Z   2
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  0.000  0.000  1.0
  Co  Co1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.629  0.379  0.259  1.0
  P  P5  1  0.371  0.621  0.741  1.0
  O  O6  1  0.805  0.312  0.125  1.0
  O  O7  1  0.303  0.795  0.607  1.0
  O  O8  1  0.304  0.313  0.607  1.0
  O  O9  1  0.320  0.312  0.125  1.0
  O  O10  1  0.195  0.688  0.875  1.0
  O  O11  1  0.697  0.205  0.393  1.0
  O  O12  1  0.696  0.687  0.393  1.0
  O  O13  1  0.680  0.688  0.875  1.0
  O  O14  1  0.112  0.862  0.224  1.0
  O  O15  1  0.888  0.138  0.776  1.0
[/CIF]
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