The material structure described by Ca(MoO2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to four equivalent O(1) atoms to form CaO4 tetrahedra that share corners with twelve equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. Mo(1) is bonded to six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Ca(1)O4 tetrahedra and edges with six equivalent Mo(1)O6 octahedra. O(1) is bonded to one Ca(1) and three equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OCaMo3 tetrahedra. is represented by the CIF file [CIF]
data_Ca(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.479
_cell_length_b   6.479
_cell_length_c   6.479
_cell_angle_alpha   60.000
_cell_angle_beta   59.997
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   192.298
_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
  Ca  Ca0  1  0.750  0.750  0.750  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  Mo  Mo2  1  0.125  0.125  0.625  1.0
  Mo  Mo3  1  0.625  0.125  0.125  1.0
  Mo  Mo4  1  0.125  0.125  0.125  1.0
  Mo  Mo5  1  0.125  0.625  0.125  1.0
  O  O6  1  0.927  0.358  0.358  1.0
  O  O7  1  0.358  0.358  0.927  1.0
  O  O8  1  0.358  0.358  0.358  1.0
  O  O9  1  0.323  0.892  0.892  1.0
  O  O10  1  0.892  0.323  0.892  1.0
  O  O11  1  0.892  0.892  0.323  1.0
  O  O12  1  0.358  0.927  0.358  1.0
  O  O13  1  0.892  0.892  0.892  1.0
[/CIF]
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The material structure described by Ca(MoO2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to four equivalent O(1) atoms to form CaO4 tetrahedra that share corners with twelve equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. Mo(1) is bonded to six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Ca(1)O4 tetrahedra and edges with six equivalent Mo(1)O6 octahedra. O(1) is bonded to one Ca(1) and three equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OCaMo3 tetrahedra. is represented by the CIF file [CIF]
data_Ca(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.479
_cell_length_b   6.479
_cell_length_c   6.479
_cell_angle_alpha   60.000
_cell_angle_beta   59.997
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   192.298
_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
  Ca  Ca0  1  0.750  0.750  0.750  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  Mo  Mo2  1  0.125  0.125  0.625  1.0
  Mo  Mo3  1  0.625  0.125  0.125  1.0
  Mo  Mo4  1  0.125  0.125  0.125  1.0
  Mo  Mo5  1  0.125  0.625  0.125  1.0
  O  O6  1  0.927  0.358  0.358  1.0
  O  O7  1  0.358  0.358  0.927  1.0
  O  O8  1  0.358  0.358  0.358  1.0
  O  O9  1  0.323  0.892  0.892  1.0
  O  O10  1  0.892  0.323  0.892  1.0
  O  O11  1  0.892  0.892  0.323  1.0
  O  O12  1  0.358  0.927  0.358  1.0
  O  O13  1  0.892  0.892  0.892  1.0
[/CIF]
.