The material structure described by CaMo2O5 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CaO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Mo(1)O5 trigonal bipyramids, and edges with four equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. Mo(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form distorted MoO5 trigonal bipyramids that share corners with two equivalent Ca(1)O6 octahedra, corners with three equivalent Mo(1)O5 trigonal bipyramids, edges with two equivalent Ca(1)O6 octahedra, and edges with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Mo(1) atoms to form corner-sharing OCa2Mo2 tetrahedra. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ca(1) and three equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.255
_cell_length_b   5.879
_cell_length_c   11.605
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.218
_symmetry_Int_Tables_number   1
_cell_volume   270.631
_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  0.896  0.793  0.750  1.0
  Ca  Ca1  1  0.104  0.207  0.250  1.0
  Mo  Mo2  1  0.206  0.412  0.595  1.0
  Mo  Mo3  1  0.794  0.588  0.405  1.0
  Mo  Mo4  1  0.794  0.588  0.095  1.0
  Mo  Mo5  1  0.206  0.412  0.905  1.0
  O  O6  1  0.701  0.403  0.250  1.0
  O  O7  1  0.299  0.597  0.750  1.0
  O  O8  1  0.255  0.510  0.075  1.0
  O  O9  1  0.745  0.490  0.925  1.0
  O  O10  1  0.745  0.490  0.575  1.0
  O  O11  1  0.255  0.510  0.425  1.0
  O  O12  1  0.042  0.085  0.619  1.0
  O  O13  1  0.958  0.915  0.381  1.0
  O  O14  1  0.042  0.085  0.881  1.0
  O  O15  1  0.958  0.915  0.119  1.0
[/CIF]
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The material structure described by CaMo2O5 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CaO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Mo(1)O5 trigonal bipyramids, and edges with four equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. Mo(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form distorted MoO5 trigonal bipyramids that share corners with two equivalent Ca(1)O6 octahedra, corners with three equivalent Mo(1)O5 trigonal bipyramids, edges with two equivalent Ca(1)O6 octahedra, and edges with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Mo(1) atoms to form corner-sharing OCa2Mo2 tetrahedra. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ca(1) and three equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.255
_cell_length_b   5.879
_cell_length_c   11.605
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.218
_symmetry_Int_Tables_number   1
_cell_volume   270.631
_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  0.896  0.793  0.750  1.0
  Ca  Ca1  1  0.104  0.207  0.250  1.0
  Mo  Mo2  1  0.206  0.412  0.595  1.0
  Mo  Mo3  1  0.794  0.588  0.405  1.0
  Mo  Mo4  1  0.794  0.588  0.095  1.0
  Mo  Mo5  1  0.206  0.412  0.905  1.0
  O  O6  1  0.701  0.403  0.250  1.0
  O  O7  1  0.299  0.597  0.750  1.0
  O  O8  1  0.255  0.510  0.075  1.0
  O  O9  1  0.745  0.490  0.925  1.0
  O  O10  1  0.745  0.490  0.575  1.0
  O  O11  1  0.255  0.510  0.425  1.0
  O  O12  1  0.042  0.085  0.619  1.0
  O  O13  1  0.958  0.915  0.381  1.0
  O  O14  1  0.042  0.085  0.881  1.0
  O  O15  1  0.958  0.915  0.119  1.0
[/CIF]
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