The compound described by BaMoO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Mo(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mo(1) atom. is represented by the CIF file [CIF]
data_BaMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.622
_cell_length_b   5.622
_cell_length_c   7.548
_cell_angle_alpha   111.867
_cell_angle_beta   111.867
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.804
_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
  Ba  Ba0  1  0.375  0.125  0.750  1.0
  Ba  Ba1  1  0.625  0.875  0.250  1.0
  Mo  Mo2  1  0.875  0.625  0.750  1.0
  Mo  Mo3  1  0.125  0.375  0.250  1.0
  O  O4  1  0.815  0.417  0.096  1.0
  O  O5  1  0.679  0.315  0.596  1.0
  O  O6  1  0.917  0.780  0.596  1.0
  O  O7  1  0.280  0.179  0.096  1.0
  O  O8  1  0.720  0.821  0.904  1.0
  O  O9  1  0.083  0.220  0.404  1.0
  O  O10  1  0.185  0.583  0.904  1.0
  O  O11  1  0.321  0.685  0.404  1.0
[/CIF]
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The compound described by BaMoO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Mo(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mo(1) atom. is represented by the CIF file [CIF]
data_BaMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.622
_cell_length_b   5.622
_cell_length_c   7.548
_cell_angle_alpha   111.867
_cell_angle_beta   111.867
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.804
_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
  Ba  Ba0  1  0.375  0.125  0.750  1.0
  Ba  Ba1  1  0.625  0.875  0.250  1.0
  Mo  Mo2  1  0.875  0.625  0.750  1.0
  Mo  Mo3  1  0.125  0.375  0.250  1.0
  O  O4  1  0.815  0.417  0.096  1.0
  O  O5  1  0.679  0.315  0.596  1.0
  O  O6  1  0.917  0.780  0.596  1.0
  O  O7  1  0.280  0.179  0.096  1.0
  O  O8  1  0.720  0.821  0.904  1.0
  O  O9  1  0.083  0.220  0.404  1.0
  O  O10  1  0.185  0.583  0.904  1.0
  O  O11  1  0.321  0.685  0.404  1.0
[/CIF]
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