The crystal structure described by Ba3Mo2(NO3)2 crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one N(1) and nine equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one N(1) and three equivalent O(1) atoms. N(1) is bonded in a distorted linear geometry to one Ba(1) and one Mo(1) atom. O(1) is bonded in a 5-coordinate geometry to one Ba(2), three equivalent Ba(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Mo2(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.027
_cell_length_b   8.027
_cell_length_c   8.027
_cell_angle_alpha   44.619
_cell_angle_beta   44.619
_cell_angle_gamma   44.619
_symmetry_Int_Tables_number   1
_cell_volume   232.055
_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
  Ba  Ba0  1  0.202  0.202  0.202  1.0
  Ba  Ba1  1  0.798  0.798  0.798  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Mo  Mo3  1  0.594  0.594  0.594  1.0
  Mo  Mo4  1  0.406  0.406  0.406  1.0
  N  N5  1  0.674  0.674  0.674  1.0
  N  N6  1  0.326  0.326  0.326  1.0
  O  O7  1  0.268  0.268  0.768  1.0
  O  O8  1  0.768  0.268  0.268  1.0
  O  O9  1  0.268  0.768  0.268  1.0
  O  O10  1  0.732  0.732  0.232  1.0
  O  O11  1  0.232  0.732  0.732  1.0
  O  O12  1  0.732  0.232  0.732  1.0
[/CIF]
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The crystal structure described by Ba3Mo2(NO3)2 crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one N(1) and nine equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one N(1) and three equivalent O(1) atoms. N(1) is bonded in a distorted linear geometry to one Ba(1) and one Mo(1) atom. O(1) is bonded in a 5-coordinate geometry to one Ba(2), three equivalent Ba(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Mo2(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.027
_cell_length_b   8.027
_cell_length_c   8.027
_cell_angle_alpha   44.619
_cell_angle_beta   44.619
_cell_angle_gamma   44.619
_symmetry_Int_Tables_number   1
_cell_volume   232.055
_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
  Ba  Ba0  1  0.202  0.202  0.202  1.0
  Ba  Ba1  1  0.798  0.798  0.798  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Mo  Mo3  1  0.594  0.594  0.594  1.0
  Mo  Mo4  1  0.406  0.406  0.406  1.0
  N  N5  1  0.674  0.674  0.674  1.0
  N  N6  1  0.326  0.326  0.326  1.0
  O  O7  1  0.268  0.268  0.768  1.0
  O  O8  1  0.768  0.268  0.268  1.0
  O  O9  1  0.268  0.768  0.268  1.0
  O  O10  1  0.732  0.732  0.232  1.0
  O  O11  1  0.232  0.732  0.732  1.0
  O  O12  1  0.732  0.232  0.732  1.0
[/CIF]
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