The material described by BaCo2(PO4)2 crystallizes in the triclinic P-1 space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(3), two equivalent O(4), and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Co(1)O6 octahedra, edges with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent P(1)O4 tetrahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent P(1)O4 tetrahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Co(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.768
_cell_length_b   4.872
_cell_length_c   8.518
_cell_angle_alpha   90.409
_cell_angle_beta   106.115
_cell_angle_gamma   119.224
_symmetry_Int_Tables_number   1
_cell_volume   163.464
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.328  0.149  0.505  1.0
  Co  Co2  1  0.672  0.851  0.495  1.0
  P  P3  1  0.143  0.571  0.719  1.0
  P  P4  1  0.857  0.429  0.281  1.0
  O  O5  1  0.912  0.149  0.341  1.0
  O  O6  1  0.275  0.635  0.909  1.0
  O  O7  1  0.725  0.365  0.091  1.0
  O  O8  1  0.595  0.445  0.351  1.0
  O  O9  1  0.088  0.851  0.659  1.0
  O  O10  1  0.798  0.244  0.660  1.0
  O  O11  1  0.202  0.756  0.340  1.0
  O  O12  1  0.405  0.555  0.649  1.0
[/CIF]
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The material described by BaCo2(PO4)2 crystallizes in the triclinic P-1 space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(3), two equivalent O(4), and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Co(1)O6 octahedra, edges with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent P(1)O4 tetrahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent P(1)O4 tetrahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Co(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.768
_cell_length_b   4.872
_cell_length_c   8.518
_cell_angle_alpha   90.409
_cell_angle_beta   106.115
_cell_angle_gamma   119.224
_symmetry_Int_Tables_number   1
_cell_volume   163.464
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.328  0.149  0.505  1.0
  Co  Co2  1  0.672  0.851  0.495  1.0
  P  P3  1  0.143  0.571  0.719  1.0
  P  P4  1  0.857  0.429  0.281  1.0
  O  O5  1  0.912  0.149  0.341  1.0
  O  O6  1  0.275  0.635  0.909  1.0
  O  O7  1  0.725  0.365  0.091  1.0
  O  O8  1  0.595  0.445  0.351  1.0
  O  O9  1  0.088  0.851  0.659  1.0
  O  O10  1  0.798  0.244  0.660  1.0
  O  O11  1  0.202  0.756  0.340  1.0
  O  O12  1  0.405  0.555  0.649  1.0
[/CIF]
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