The structure described by Ca(MoO2)2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent Mo(2)O6 octahedra, corners with three equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, edges with three equivalent Mo(1)O6 octahedra, edges with two equivalent Ca(1)O6 pentagonal pyramids, and  a faceface with one Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, corners with three equivalent Ca(1)O6 pentagonal pyramids, edges with four equivalent Mo(1)O6 octahedra, and edges with three equivalent Ca(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 51-63°. In the second Mo site, Mo(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with two equivalent Ca(1)O6 pentagonal pyramids, edges with four equivalent Mo(2)O6 octahedra, edges with two equivalent Ca(1)O6 pentagonal pyramids, and  a faceface with one Ca(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mo(2), and two equivalent Mo(1) atoms to form OCaMo3 trigonal pyramids that share  a cornercorner with one O(4)Ca2Mo3 square pyramid, corners with two equivalent O(3)Ca2Mo3 square pyramids, corners with five equivalent O(2)CaMo3 tetrahedra, corners with two equivalent O(1)CaMo3 trigonal pyramids, edges with two equivalent O(4)Ca2Mo3 square pyramids, and edges with three equivalent O(3)Ca2Mo3 square pyramids. In the second O site, O(2) is bonded to one Ca(1), one Mo(1), and two equivalent Mo(2) atoms to form distorted OCaMo3 tetrahedra that share corners with two equivalent O(4)Ca2Mo3 square pyramids, corners with five equivalent O(3)Ca2Mo3 square pyramids, corners with two equivalent O(2)CaMo3 tetrahedra, corners with five equivalent O(1)CaMo3 trigonal pyramids, and edges with three equivalent O(4)Ca2Mo3 square pyramids. In the third O site, O(3) is bonded to two equivalent Ca(1) and three equivalent Mo(1) atoms to form OCa2Mo3 square pyramids that share corners with two equivalent O(4)Ca2Mo3 square pyramids, corners with five equivalent O(2)CaMo3 tetrahedra, corners with two equivalent O(1)CaMo3 trigonal pyramids,  an edgeedge with one O(4)Ca2Mo3 square pyramid, edges with four equivalent O(3)Ca2Mo3 square pyramids, and edges with three equivalent O(1)CaMo3 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and three equivalent Mo(2) atoms to form distorted OCa2Mo3 square pyramids that share corners with two equivalent O(3)Ca2Mo3 square pyramids, corners with two equivalent O(2)CaMo3 tetrahedra,  a cornercorner with one O(1)CaMo3 trigonal pyramid,  an edgeedge with one O(3)Ca2Mo3 square pyramid, edges with four equivalent O(4)Ca2Mo3 square pyramids, edges with three equivalent O(2)CaMo3 tetrahedra, and edges with two equivalent O(1)CaMo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.303
_cell_length_b   7.303
_cell_length_c   9.842
_cell_angle_alpha   55.983
_cell_angle_beta   55.983
_cell_angle_gamma   26.304
_symmetry_Int_Tables_number   1
_cell_volume   190.357
_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  0.660  0.660  0.823  1.0
  Ca  Ca1  1  0.340  0.340  0.177  1.0
  Mo  Mo2  1  0.363  0.363  0.831  1.0
  Mo  Mo3  1  0.862  0.862  0.471  1.0
  Mo  Mo4  1  0.138  0.138  0.529  1.0
  Mo  Mo5  1  0.637  0.637  0.169  1.0
  O  O6  1  0.132  0.132  0.308  1.0
  O  O7  1  0.546  0.546  0.697  1.0
  O  O8  1  0.454  0.454  0.303  1.0
  O  O9  1  0.868  0.868  0.692  1.0
  O  O10  1  0.835  0.835  0.008  1.0
  O  O11  1  0.241  0.241  0.625  1.0
  O  O12  1  0.165  0.165  0.992  1.0
  O  O13  1  0.759  0.759  0.375  1.0
[/CIF]
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The structure described by Ca(MoO2)2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent Mo(2)O6 octahedra, corners with three equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, edges with three equivalent Mo(1)O6 octahedra, edges with two equivalent Ca(1)O6 pentagonal pyramids, and  a faceface with one Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, corners with three equivalent Ca(1)O6 pentagonal pyramids, edges with four equivalent Mo(1)O6 octahedra, and edges with three equivalent Ca(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 51-63°. In the second Mo site, Mo(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with two equivalent Ca(1)O6 pentagonal pyramids, edges with four equivalent Mo(2)O6 octahedra, edges with two equivalent Ca(1)O6 pentagonal pyramids, and  a faceface with one Ca(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mo(2), and two equivalent Mo(1) atoms to form OCaMo3 trigonal pyramids that share  a cornercorner with one O(4)Ca2Mo3 square pyramid, corners with two equivalent O(3)Ca2Mo3 square pyramids, corners with five equivalent O(2)CaMo3 tetrahedra, corners with two equivalent O(1)CaMo3 trigonal pyramids, edges with two equivalent O(4)Ca2Mo3 square pyramids, and edges with three equivalent O(3)Ca2Mo3 square pyramids. In the second O site, O(2) is bonded to one Ca(1), one Mo(1), and two equivalent Mo(2) atoms to form distorted OCaMo3 tetrahedra that share corners with two equivalent O(4)Ca2Mo3 square pyramids, corners with five equivalent O(3)Ca2Mo3 square pyramids, corners with two equivalent O(2)CaMo3 tetrahedra, corners with five equivalent O(1)CaMo3 trigonal pyramids, and edges with three equivalent O(4)Ca2Mo3 square pyramids. In the third O site, O(3) is bonded to two equivalent Ca(1) and three equivalent Mo(1) atoms to form OCa2Mo3 square pyramids that share corners with two equivalent O(4)Ca2Mo3 square pyramids, corners with five equivalent O(2)CaMo3 tetrahedra, corners with two equivalent O(1)CaMo3 trigonal pyramids,  an edgeedge with one O(4)Ca2Mo3 square pyramid, edges with four equivalent O(3)Ca2Mo3 square pyramids, and edges with three equivalent O(1)CaMo3 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and three equivalent Mo(2) atoms to form distorted OCa2Mo3 square pyramids that share corners with two equivalent O(3)Ca2Mo3 square pyramids, corners with two equivalent O(2)CaMo3 tetrahedra,  a cornercorner with one O(1)CaMo3 trigonal pyramid,  an edgeedge with one O(3)Ca2Mo3 square pyramid, edges with four equivalent O(4)Ca2Mo3 square pyramids, edges with three equivalent O(2)CaMo3 tetrahedra, and edges with two equivalent O(1)CaMo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.303
_cell_length_b   7.303
_cell_length_c   9.842
_cell_angle_alpha   55.983
_cell_angle_beta   55.983
_cell_angle_gamma   26.304
_symmetry_Int_Tables_number   1
_cell_volume   190.357
_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  0.660  0.660  0.823  1.0
  Ca  Ca1  1  0.340  0.340  0.177  1.0
  Mo  Mo2  1  0.363  0.363  0.831  1.0
  Mo  Mo3  1  0.862  0.862  0.471  1.0
  Mo  Mo4  1  0.138  0.138  0.529  1.0
  Mo  Mo5  1  0.637  0.637  0.169  1.0
  O  O6  1  0.132  0.132  0.308  1.0
  O  O7  1  0.546  0.546  0.697  1.0
  O  O8  1  0.454  0.454  0.303  1.0
  O  O9  1  0.868  0.868  0.692  1.0
  O  O10  1  0.835  0.835  0.008  1.0
  O  O11  1  0.241  0.241  0.625  1.0
  O  O12  1  0.165  0.165  0.992  1.0
  O  O13  1  0.759  0.759  0.375  1.0
[/CIF]
.