The material structure described by BaCo2(AsO4)2 crystallizes in the trigonal R-3 space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Co(1)O6 octahedra, edges with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent As(1)O4 tetrahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent As(1)O4 tetrahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. As(1) is bonded to one O(1) and three equivalent O(2) atoms to form AsO4 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 53-57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one As(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Co(1), and one As(1) atom. is represented by the CIF file [CIF]
data_BaCo2(AsO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   5.063
_cell_length_c   8.604
_cell_angle_alpha   72.890
_cell_angle_beta   72.890
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   179.628
_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
  As  As0  1  0.573  0.573  0.282  1.0
  As  As1  1  0.427  0.427  0.718  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.170  0.170  0.491  1.0
  Co  Co4  1  0.830  0.830  0.509  1.0
  O  O5  1  0.643  0.643  0.072  1.0
  O  O6  1  0.357  0.357  0.928  1.0
  O  O7  1  0.439  0.783  0.652  1.0
  O  O8  1  0.783  0.126  0.652  1.0
  O  O9  1  0.126  0.439  0.652  1.0
  O  O10  1  0.561  0.217  0.348  1.0
  O  O11  1  0.217  0.874  0.348  1.0
  O  O12  1  0.874  0.561  0.348  1.0
[/CIF]
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The material structure described by BaCo2(AsO4)2 crystallizes in the trigonal R-3 space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Co(1)O6 octahedra, edges with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent As(1)O4 tetrahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent As(1)O4 tetrahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. As(1) is bonded to one O(1) and three equivalent O(2) atoms to form AsO4 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 53-57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one As(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Co(1), and one As(1) atom. is represented by the CIF file [CIF]
data_BaCo2(AsO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   5.063
_cell_length_c   8.604
_cell_angle_alpha   72.890
_cell_angle_beta   72.890
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   179.628
_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
  As  As0  1  0.573  0.573  0.282  1.0
  As  As1  1  0.427  0.427  0.718  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.170  0.170  0.491  1.0
  Co  Co4  1  0.830  0.830  0.509  1.0
  O  O5  1  0.643  0.643  0.072  1.0
  O  O6  1  0.357  0.357  0.928  1.0
  O  O7  1  0.439  0.783  0.652  1.0
  O  O8  1  0.783  0.126  0.652  1.0
  O  O9  1  0.126  0.439  0.652  1.0
  O  O10  1  0.561  0.217  0.348  1.0
  O  O11  1  0.217  0.874  0.348  1.0
  O  O12  1  0.874  0.561  0.348  1.0
[/CIF]
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