The crystal structure described by NaMgMoO3 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. Mg(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Mg(1), and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Mg(1), and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMgMoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.368
_cell_length_b   4.368
_cell_length_c   4.384
_cell_angle_alpha   98.159
_cell_angle_beta   98.159
_cell_angle_gamma   82.209
_symmetry_Int_Tables_number   1
_cell_volume   81.388
_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  0.627  0.627  0.372  1.0
  Mg  Mg1  1  0.280  0.280  0.727  1.0
  Mo  Mo2  1  0.966  0.966  0.037  1.0
  O  O3  1  0.472  0.985  0.017  1.0
  O  O4  1  0.985  0.472  0.017  1.0
  O  O5  1  0.987  0.987  0.530  1.0
[/CIF]
.
The crystal structure described by NaMgMoO3 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. Mg(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Mg(1), and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Mg(1), and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMgMoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.368
_cell_length_b   4.368
_cell_length_c   4.384
_cell_angle_alpha   98.159
_cell_angle_beta   98.159
_cell_angle_gamma   82.209
_symmetry_Int_Tables_number   1
_cell_volume   81.388
_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  0.627  0.627  0.372  1.0
  Mg  Mg1  1  0.280  0.280  0.727  1.0
  Mo  Mo2  1  0.966  0.966  0.037  1.0
  O  O3  1  0.472  0.985  0.017  1.0
  O  O4  1  0.985  0.472  0.017  1.0
  O  O5  1  0.987  0.987  0.530  1.0
[/CIF]
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