The structure described by CoU2O6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with six equivalent U(2)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second U site, U(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with six equivalent U(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent U(1)O6 octahedra and edges with three equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent U(2)O6 octahedra and edges with three equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one U(1), one U(2), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one U(1), one U(2), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one U(1), one U(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.121
_cell_length_b   9.121
_cell_length_c   5.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   364.130
_cell_formula_units_Z   3
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
  U  U0  1  0.654  0.000  0.000  1.0
  U  U1  1  0.000  0.321  0.500  1.0
  U  U2  1  0.679  0.679  0.500  1.0
  U  U3  1  0.321  0.000  0.500  1.0
  U  U4  1  0.346  0.346  0.000  1.0
  U  U5  1  0.000  0.654  0.000  1.0
  Co  Co6  1  0.667  0.333  0.496  1.0
  Co  Co7  1  0.333  0.667  0.504  1.0
  Co  Co8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.547  0.107  0.259  1.0
  O  O10  1  0.772  0.892  0.769  1.0
  O  O11  1  0.223  0.440  0.268  1.0
  O  O12  1  0.783  0.560  0.732  1.0
  O  O13  1  0.108  0.881  0.769  1.0
  O  O14  1  0.777  0.217  0.732  1.0
  O  O15  1  0.217  0.777  0.268  1.0
  O  O16  1  0.119  0.228  0.769  1.0
  O  O17  1  0.560  0.453  0.259  1.0
  O  O18  1  0.892  0.772  0.231  1.0
  O  O19  1  0.893  0.440  0.259  1.0
  O  O20  1  0.881  0.108  0.231  1.0
  O  O21  1  0.560  0.783  0.268  1.0
  O  O22  1  0.453  0.560  0.741  1.0
  O  O23  1  0.107  0.547  0.741  1.0
  O  O24  1  0.228  0.119  0.231  1.0
  O  O25  1  0.440  0.223  0.732  1.0
  O  O26  1  0.440  0.893  0.741  1.0
[/CIF]
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The structure described by CoU2O6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with six equivalent U(2)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second U site, U(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with six equivalent U(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent U(1)O6 octahedra and edges with three equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent U(2)O6 octahedra and edges with three equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one U(1), one U(2), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one U(1), one U(2), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one U(1), one U(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.121
_cell_length_b   9.121
_cell_length_c   5.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   364.130
_cell_formula_units_Z   3
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
  U  U0  1  0.654  0.000  0.000  1.0
  U  U1  1  0.000  0.321  0.500  1.0
  U  U2  1  0.679  0.679  0.500  1.0
  U  U3  1  0.321  0.000  0.500  1.0
  U  U4  1  0.346  0.346  0.000  1.0
  U  U5  1  0.000  0.654  0.000  1.0
  Co  Co6  1  0.667  0.333  0.496  1.0
  Co  Co7  1  0.333  0.667  0.504  1.0
  Co  Co8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.547  0.107  0.259  1.0
  O  O10  1  0.772  0.892  0.769  1.0
  O  O11  1  0.223  0.440  0.268  1.0
  O  O12  1  0.783  0.560  0.732  1.0
  O  O13  1  0.108  0.881  0.769  1.0
  O  O14  1  0.777  0.217  0.732  1.0
  O  O15  1  0.217  0.777  0.268  1.0
  O  O16  1  0.119  0.228  0.769  1.0
  O  O17  1  0.560  0.453  0.259  1.0
  O  O18  1  0.892  0.772  0.231  1.0
  O  O19  1  0.893  0.440  0.259  1.0
  O  O20  1  0.881  0.108  0.231  1.0
  O  O21  1  0.560  0.783  0.268  1.0
  O  O22  1  0.453  0.560  0.741  1.0
  O  O23  1  0.107  0.547  0.741  1.0
  O  O24  1  0.228  0.119  0.231  1.0
  O  O25  1  0.440  0.223  0.732  1.0
  O  O26  1  0.440  0.893  0.741  1.0
[/CIF]
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