The material described by Co2PO5 crystallizes in the tetragonal I4_1/amd space group. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) 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(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with eight equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two 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 4-coordinate geometry to four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   5.359
_cell_length_c   7.312
_cell_angle_alpha   111.498
_cell_angle_beta   111.497
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   179.595
_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  0.625  0.375  0.250  1.0
  P  P5  1  0.375  0.625  0.750  1.0
  O  O6  1  0.798  0.307  0.114  1.0
  O  O7  1  0.307  0.798  0.614  1.0
  O  O8  1  0.307  0.316  0.614  1.0
  O  O9  1  0.316  0.307  0.114  1.0
  O  O10  1  0.202  0.693  0.886  1.0
  O  O11  1  0.693  0.202  0.386  1.0
  O  O12  1  0.693  0.684  0.386  1.0
  O  O13  1  0.684  0.693  0.886  1.0
  O  O14  1  0.125  0.875  0.250  1.0
  O  O15  1  0.875  0.125  0.750  1.0
[/CIF]
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The material described by Co2PO5 crystallizes in the tetragonal I4_1/amd space group. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) 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(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with eight equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two 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 4-coordinate geometry to four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   5.359
_cell_length_c   7.312
_cell_angle_alpha   111.498
_cell_angle_beta   111.497
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   179.595
_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  0.625  0.375  0.250  1.0
  P  P5  1  0.375  0.625  0.750  1.0
  O  O6  1  0.798  0.307  0.114  1.0
  O  O7  1  0.307  0.798  0.614  1.0
  O  O8  1  0.307  0.316  0.614  1.0
  O  O9  1  0.316  0.307  0.114  1.0
  O  O10  1  0.202  0.693  0.886  1.0
  O  O11  1  0.693  0.202  0.386  1.0
  O  O12  1  0.693  0.684  0.386  1.0
  O  O13  1  0.684  0.693  0.886  1.0
  O  O14  1  0.125  0.875  0.250  1.0
  O  O15  1  0.875  0.125  0.750  1.0
[/CIF]
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