The material described by CaMo3O7 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted edge-sharing MoO5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one Mo(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one Mo(1) atom. In the third O site, O(1) is bonded to one Ca(1), one Mo(2), and two equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OCaMo3 trigonal pyramids. In the fourth O site, O(2) is bonded to one Ca(1), one Mo(2), and two equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OCaMo3 trigonal pyramids. is represented by the CIF file [CIF]
data_CaMo3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.804
_cell_length_b   11.352
_cell_length_c   10.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   692.236
_cell_formula_units_Z   4
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  0.668  0.750  0.920  1.0
  Ca  Ca1  1  0.168  0.250  0.580  1.0
  Ca  Ca2  1  0.332  0.250  0.080  1.0
  Ca  Ca3  1  0.832  0.750  0.420  1.0
  Mo  Mo4  1  0.326  0.018  0.317  1.0
  Mo  Mo5  1  0.826  0.982  0.183  1.0
  Mo  Mo6  1  0.674  0.518  0.683  1.0
  Mo  Mo7  1  0.174  0.482  0.817  1.0
  Mo  Mo8  1  0.317  0.750  0.213  1.0
  Mo  Mo9  1  0.817  0.250  0.287  1.0
  Mo  Mo10  1  0.683  0.250  0.787  1.0
  Mo  Mo11  1  0.183  0.750  0.713  1.0
  Mo  Mo12  1  0.826  0.518  0.183  1.0
  Mo  Mo13  1  0.326  0.482  0.317  1.0
  Mo  Mo14  1  0.174  0.018  0.817  1.0
  Mo  Mo15  1  0.674  0.982  0.683  1.0
  O  O16  1  0.917  0.113  0.726  1.0
  O  O17  1  0.417  0.887  0.774  1.0
  O  O18  1  0.083  0.613  0.274  1.0
  O  O19  1  0.583  0.387  0.226  1.0
  O  O20  1  0.083  0.887  0.274  1.0
  O  O21  1  0.583  0.113  0.226  1.0
  O  O22  1  0.917  0.387  0.726  1.0
  O  O23  1  0.417  0.613  0.774  1.0
  O  O24  1  0.450  0.122  0.729  1.0
  O  O25  1  0.950  0.878  0.771  1.0
  O  O26  1  0.550  0.622  0.271  1.0
  O  O27  1  0.050  0.378  0.229  1.0
  O  O28  1  0.550  0.878  0.271  1.0
  O  O29  1  0.050  0.122  0.229  1.0
  O  O30  1  0.450  0.378  0.729  1.0
  O  O31  1  0.950  0.622  0.771  1.0
  O  O32  1  0.173  0.750  0.540  1.0
  O  O33  1  0.673  0.250  0.960  1.0
  O  O34  1  0.827  0.250  0.460  1.0
  O  O35  1  0.327  0.750  0.040  1.0
  O  O36  1  0.226  0.412  0.968  1.0
  O  O37  1  0.726  0.588  0.532  1.0
  O  O38  1  0.774  0.912  0.032  1.0
  O  O39  1  0.274  0.088  0.468  1.0
  O  O40  1  0.774  0.588  0.032  1.0
  O  O41  1  0.274  0.412  0.468  1.0
  O  O42  1  0.226  0.088  0.968  1.0
  O  O43  1  0.726  0.912  0.532  1.0
[/CIF]
.
The material described by CaMo3O7 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted edge-sharing MoO5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one Mo(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one Mo(1) atom. In the third O site, O(1) is bonded to one Ca(1), one Mo(2), and two equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OCaMo3 trigonal pyramids. In the fourth O site, O(2) is bonded to one Ca(1), one Mo(2), and two equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OCaMo3 trigonal pyramids. is represented by the CIF file [CIF]
data_CaMo3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.804
_cell_length_b   11.352
_cell_length_c   10.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   692.236
_cell_formula_units_Z   4
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  0.668  0.750  0.920  1.0
  Ca  Ca1  1  0.168  0.250  0.580  1.0
  Ca  Ca2  1  0.332  0.250  0.080  1.0
  Ca  Ca3  1  0.832  0.750  0.420  1.0
  Mo  Mo4  1  0.326  0.018  0.317  1.0
  Mo  Mo5  1  0.826  0.982  0.183  1.0
  Mo  Mo6  1  0.674  0.518  0.683  1.0
  Mo  Mo7  1  0.174  0.482  0.817  1.0
  Mo  Mo8  1  0.317  0.750  0.213  1.0
  Mo  Mo9  1  0.817  0.250  0.287  1.0
  Mo  Mo10  1  0.683  0.250  0.787  1.0
  Mo  Mo11  1  0.183  0.750  0.713  1.0
  Mo  Mo12  1  0.826  0.518  0.183  1.0
  Mo  Mo13  1  0.326  0.482  0.317  1.0
  Mo  Mo14  1  0.174  0.018  0.817  1.0
  Mo  Mo15  1  0.674  0.982  0.683  1.0
  O  O16  1  0.917  0.113  0.726  1.0
  O  O17  1  0.417  0.887  0.774  1.0
  O  O18  1  0.083  0.613  0.274  1.0
  O  O19  1  0.583  0.387  0.226  1.0
  O  O20  1  0.083  0.887  0.274  1.0
  O  O21  1  0.583  0.113  0.226  1.0
  O  O22  1  0.917  0.387  0.726  1.0
  O  O23  1  0.417  0.613  0.774  1.0
  O  O24  1  0.450  0.122  0.729  1.0
  O  O25  1  0.950  0.878  0.771  1.0
  O  O26  1  0.550  0.622  0.271  1.0
  O  O27  1  0.050  0.378  0.229  1.0
  O  O28  1  0.550  0.878  0.271  1.0
  O  O29  1  0.050  0.122  0.229  1.0
  O  O30  1  0.450  0.378  0.729  1.0
  O  O31  1  0.950  0.622  0.771  1.0
  O  O32  1  0.173  0.750  0.540  1.0
  O  O33  1  0.673  0.250  0.960  1.0
  O  O34  1  0.827  0.250  0.460  1.0
  O  O35  1  0.327  0.750  0.040  1.0
  O  O36  1  0.226  0.412  0.968  1.0
  O  O37  1  0.726  0.588  0.532  1.0
  O  O38  1  0.774  0.912  0.032  1.0
  O  O39  1  0.274  0.088  0.468  1.0
  O  O40  1  0.774  0.588  0.032  1.0
  O  O41  1  0.274  0.412  0.468  1.0
  O  O42  1  0.226  0.088  0.968  1.0
  O  O43  1  0.726  0.912  0.532  1.0
[/CIF]
.