The compound described by CaMo2O5 crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Mo(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing MoO5 trigonal bipyramids. 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 4-coordinate geometry to one Ca(1) and three equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent 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   3.583
_cell_length_b   5.259
_cell_length_c   13.018
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.299
_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  0.500  0.554  0.000  1.0
  Ca  Ca1  1  0.000  0.446  0.500  1.0
  Mo  Mo2  1  0.000  0.035  0.856  1.0
  Mo  Mo3  1  0.500  0.965  0.644  1.0
  Mo  Mo4  1  0.500  0.965  0.356  1.0
  Mo  Mo5  1  0.000  0.035  0.144  1.0
  O  O6  1  0.500  0.131  0.500  1.0
  O  O7  1  0.000  0.869  0.000  1.0
  O  O8  1  0.500  0.889  0.817  1.0
  O  O9  1  0.000  0.111  0.683  1.0
  O  O10  1  0.500  0.889  0.183  1.0
  O  O11  1  0.000  0.111  0.317  1.0
  O  O12  1  0.000  0.375  0.109  1.0
  O  O13  1  0.500  0.625  0.391  1.0
  O  O14  1  0.500  0.625  0.609  1.0
  O  O15  1  0.000  0.375  0.891  1.0
[/CIF]
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The compound described by CaMo2O5 crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Mo(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing MoO5 trigonal bipyramids. 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 4-coordinate geometry to one Ca(1) and three equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent 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   3.583
_cell_length_b   5.259
_cell_length_c   13.018
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.299
_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  0.500  0.554  0.000  1.0
  Ca  Ca1  1  0.000  0.446  0.500  1.0
  Mo  Mo2  1  0.000  0.035  0.856  1.0
  Mo  Mo3  1  0.500  0.965  0.644  1.0
  Mo  Mo4  1  0.500  0.965  0.356  1.0
  Mo  Mo5  1  0.000  0.035  0.144  1.0
  O  O6  1  0.500  0.131  0.500  1.0
  O  O7  1  0.000  0.869  0.000  1.0
  O  O8  1  0.500  0.889  0.817  1.0
  O  O9  1  0.000  0.111  0.683  1.0
  O  O10  1  0.500  0.889  0.183  1.0
  O  O11  1  0.000  0.111  0.317  1.0
  O  O12  1  0.000  0.375  0.109  1.0
  O  O13  1  0.500  0.625  0.391  1.0
  O  O14  1  0.500  0.625  0.609  1.0
  O  O15  1  0.000  0.375  0.891  1.0
[/CIF]
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