The crystal structure described by Ca2MoO5 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mo(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Ca(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2MoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.953
_cell_length_b   8.953
_cell_length_c   8.953
_cell_angle_alpha   146.561
_cell_angle_beta   142.892
_cell_angle_gamma   50.804
_symmetry_Int_Tables_number   1
_cell_volume   237.381
_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  0.798  0.918  0.022  1.0
  Ca  Ca1  1  0.604  0.724  0.022  1.0
  Ca  Ca2  1  0.104  0.082  0.880  1.0
  Ca  Ca3  1  0.298  0.276  0.880  1.0
  Mo  Mo4  1  0.468  0.000  0.468  1.0
  Mo  Mo5  1  0.968  0.500  0.468  1.0
  O  O6  1  0.460  0.021  0.982  1.0
  O  O7  1  0.960  0.979  0.439  1.0
  O  O8  1  0.460  0.754  0.411  1.0
  O  O9  1  0.657  0.246  0.706  1.0
  O  O10  1  0.960  0.549  0.706  1.0
  O  O11  1  0.157  0.451  0.411  1.0
  O  O12  1  0.789  0.771  0.467  1.0
  O  O13  1  0.696  0.229  0.018  1.0
  O  O14  1  0.196  0.178  0.467  1.0
  O  O15  1  0.289  0.822  0.018  1.0
[/CIF]
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The crystal structure described by Ca2MoO5 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mo(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Ca(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2MoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.953
_cell_length_b   8.953
_cell_length_c   8.953
_cell_angle_alpha   146.561
_cell_angle_beta   142.892
_cell_angle_gamma   50.804
_symmetry_Int_Tables_number   1
_cell_volume   237.381
_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  0.798  0.918  0.022  1.0
  Ca  Ca1  1  0.604  0.724  0.022  1.0
  Ca  Ca2  1  0.104  0.082  0.880  1.0
  Ca  Ca3  1  0.298  0.276  0.880  1.0
  Mo  Mo4  1  0.468  0.000  0.468  1.0
  Mo  Mo5  1  0.968  0.500  0.468  1.0
  O  O6  1  0.460  0.021  0.982  1.0
  O  O7  1  0.960  0.979  0.439  1.0
  O  O8  1  0.460  0.754  0.411  1.0
  O  O9  1  0.657  0.246  0.706  1.0
  O  O10  1  0.960  0.549  0.706  1.0
  O  O11  1  0.157  0.451  0.411  1.0
  O  O12  1  0.789  0.771  0.467  1.0
  O  O13  1  0.696  0.229  0.018  1.0
  O  O14  1  0.196  0.178  0.467  1.0
  O  O15  1  0.289  0.822  0.018  1.0
[/CIF]
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