The material described by Na(MoO3)4O2 crystallizes in the monoclinic C2 space group. The structure consists of two hydrogen peroxide molecules inside a Na(MoO3)4 framework. In the Na(MoO3)4 framework, Na(1) is bonded in a distorted square co-planar geometry to two equivalent O(5) and two equivalent O(6) 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(6), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with five equivalent Mo(2)O5 trigonal bipyramids and  an edgeedge with one Mo(1)O6 octahedra. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing MoO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 13-69°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_Na(Mo2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.389
_cell_length_b   5.389
_cell_length_c   10.156
_cell_angle_alpha   82.478
_cell_angle_beta   82.478
_cell_angle_gamma   90.069
_symmetry_Int_Tables_number   1
_cell_volume   289.871
_cell_formula_units_Z   1
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
  Na  Na0  1  0.997  0.003  0.000  1.0
  Mo  Mo1  1  0.858  0.824  0.646  1.0
  Mo  Mo2  1  0.351  0.315  0.652  1.0
  Mo  Mo3  1  0.176  0.142  0.354  1.0
  Mo  Mo4  1  0.685  0.649  0.348  1.0
  O  O5  1  0.610  0.080  0.622  1.0
  O  O6  1  0.110  0.574  0.628  1.0
  O  O7  1  0.920  0.390  0.378  1.0
  O  O8  1  0.426  0.890  0.372  1.0
  O  O9  1  0.421  0.390  0.385  1.0
  O  O10  1  0.911  0.875  0.416  1.0
  O  O11  1  0.610  0.579  0.615  1.0
  O  O12  1  0.125  0.089  0.584  1.0
  O  O13  1  0.279  0.238  0.823  1.0
  O  O14  1  0.849  0.825  0.817  1.0
  O  O15  1  0.762  0.721  0.177  1.0
  O  O16  1  0.175  0.151  0.183  1.0
  O  O17  1  0.432  0.568  0.000  1.0
  O  O18  1  0.594  0.406  0.000  1.0
[/CIF]
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The material described by Na(MoO3)4O2 crystallizes in the monoclinic C2 space group. The structure consists of two hydrogen peroxide molecules inside a Na(MoO3)4 framework. In the Na(MoO3)4 framework, Na(1) is bonded in a distorted square co-planar geometry to two equivalent O(5) and two equivalent O(6) 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(6), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with five equivalent Mo(2)O5 trigonal bipyramids and  an edgeedge with one Mo(1)O6 octahedra. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing MoO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 13-69°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_Na(Mo2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.389
_cell_length_b   5.389
_cell_length_c   10.156
_cell_angle_alpha   82.478
_cell_angle_beta   82.478
_cell_angle_gamma   90.069
_symmetry_Int_Tables_number   1
_cell_volume   289.871
_cell_formula_units_Z   1
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
  Na  Na0  1  0.997  0.003  0.000  1.0
  Mo  Mo1  1  0.858  0.824  0.646  1.0
  Mo  Mo2  1  0.351  0.315  0.652  1.0
  Mo  Mo3  1  0.176  0.142  0.354  1.0
  Mo  Mo4  1  0.685  0.649  0.348  1.0
  O  O5  1  0.610  0.080  0.622  1.0
  O  O6  1  0.110  0.574  0.628  1.0
  O  O7  1  0.920  0.390  0.378  1.0
  O  O8  1  0.426  0.890  0.372  1.0
  O  O9  1  0.421  0.390  0.385  1.0
  O  O10  1  0.911  0.875  0.416  1.0
  O  O11  1  0.610  0.579  0.615  1.0
  O  O12  1  0.125  0.089  0.584  1.0
  O  O13  1  0.279  0.238  0.823  1.0
  O  O14  1  0.849  0.825  0.817  1.0
  O  O15  1  0.762  0.721  0.177  1.0
  O  O16  1  0.175  0.151  0.183  1.0
  O  O17  1  0.432  0.568  0.000  1.0
  O  O18  1  0.594  0.406  0.000  1.0
[/CIF]
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