The compound described by Ca(MoO3)2 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 19-29°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 19-29°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ca(1), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Ca(1), one Mo(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(MoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.566
_cell_length_b   5.461
_cell_length_c   9.456
_cell_angle_alpha   55.148
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.850
_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  0.702  0.759  0.752  1.0
  Ca  Ca1  1  0.298  0.759  0.252  1.0
  Mo  Mo2  1  0.241  0.498  0.998  1.0
  Mo  Mo3  1  0.753  0.001  0.999  1.0
  Mo  Mo4  1  0.759  0.498  0.498  1.0
  Mo  Mo5  1  0.247  0.001  0.499  1.0
  O  O6  1  0.964  0.155  0.543  1.0
  O  O7  1  0.048  0.748  0.456  1.0
  O  O8  1  0.478  0.820  0.969  1.0
  O  O9  1  0.532  0.249  0.033  1.0
  O  O10  1  0.522  0.820  0.469  1.0
  O  O11  1  0.468  0.249  0.533  1.0
  O  O12  1  0.036  0.155  0.043  1.0
  O  O13  1  0.952  0.748  0.956  1.0
  O  O14  1  0.769  0.334  0.745  1.0
  O  O15  1  0.231  0.334  0.245  1.0
  O  O16  1  0.268  0.686  0.756  1.0
  O  O17  1  0.732  0.686  0.256  1.0
[/CIF]
.
The compound described by Ca(MoO3)2 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 19-29°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 19-29°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ca(1), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Ca(1), one Mo(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(MoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.566
_cell_length_b   5.461
_cell_length_c   9.456
_cell_angle_alpha   55.148
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.850
_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  0.702  0.759  0.752  1.0
  Ca  Ca1  1  0.298  0.759  0.252  1.0
  Mo  Mo2  1  0.241  0.498  0.998  1.0
  Mo  Mo3  1  0.753  0.001  0.999  1.0
  Mo  Mo4  1  0.759  0.498  0.498  1.0
  Mo  Mo5  1  0.247  0.001  0.499  1.0
  O  O6  1  0.964  0.155  0.543  1.0
  O  O7  1  0.048  0.748  0.456  1.0
  O  O8  1  0.478  0.820  0.969  1.0
  O  O9  1  0.532  0.249  0.033  1.0
  O  O10  1  0.522  0.820  0.469  1.0
  O  O11  1  0.468  0.249  0.533  1.0
  O  O12  1  0.036  0.155  0.043  1.0
  O  O13  1  0.952  0.748  0.956  1.0
  O  O14  1  0.769  0.334  0.745  1.0
  O  O15  1  0.231  0.334  0.245  1.0
  O  O16  1  0.268  0.686  0.756  1.0
  O  O17  1  0.732  0.686  0.256  1.0
[/CIF]
.