The crystal structure described by BaMo4O8(PO4)2 crystallizes in the tetragonal I-42m space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1) and eight equivalent O(2) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), and three equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMo4(PO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.851
_cell_length_b   7.851
_cell_length_c   7.851
_cell_angle_alpha   122.098
_cell_angle_beta   122.098
_cell_angle_gamma   86.403
_symmetry_Int_Tables_number   1
_cell_volume   330.582
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.249  0.249  0.755  1.0
  Mo  Mo2  1  0.751  0.506  0.000  1.0
  Mo  Mo3  1  0.494  0.494  0.245  1.0
  Mo  Mo4  1  0.506  0.751  0.000  1.0
  P  P5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.082  0.082  0.719  1.0
  O  O8  1  0.190  0.702  0.739  1.0
  O  O9  1  0.544  0.284  0.000  1.0
  O  O10  1  0.548  0.810  0.512  1.0
  O  O11  1  0.810  0.548  0.512  1.0
  O  O12  1  0.298  0.037  0.488  1.0
  O  O13  1  0.452  0.963  0.261  1.0
  O  O14  1  0.963  0.452  0.261  1.0
  O  O15  1  0.716  0.716  0.259  1.0
  O  O16  1  0.702  0.190  0.739  1.0
  O  O17  1  0.456  0.456  0.741  1.0
  O  O18  1  0.363  0.363  0.281  1.0
  O  O19  1  0.284  0.544  0.000  1.0
  O  O20  1  0.037  0.298  0.488  1.0
  O  O21  1  0.918  0.637  0.000  1.0
  O  O22  1  0.637  0.918  0.000  1.0
[/CIF]
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The crystal structure described by BaMo4O8(PO4)2 crystallizes in the tetragonal I-42m space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1) and eight equivalent O(2) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), and three equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMo4(PO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.851
_cell_length_b   7.851
_cell_length_c   7.851
_cell_angle_alpha   122.098
_cell_angle_beta   122.098
_cell_angle_gamma   86.403
_symmetry_Int_Tables_number   1
_cell_volume   330.582
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.249  0.249  0.755  1.0
  Mo  Mo2  1  0.751  0.506  0.000  1.0
  Mo  Mo3  1  0.494  0.494  0.245  1.0
  Mo  Mo4  1  0.506  0.751  0.000  1.0
  P  P5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.082  0.082  0.719  1.0
  O  O8  1  0.190  0.702  0.739  1.0
  O  O9  1  0.544  0.284  0.000  1.0
  O  O10  1  0.548  0.810  0.512  1.0
  O  O11  1  0.810  0.548  0.512  1.0
  O  O12  1  0.298  0.037  0.488  1.0
  O  O13  1  0.452  0.963  0.261  1.0
  O  O14  1  0.963  0.452  0.261  1.0
  O  O15  1  0.716  0.716  0.259  1.0
  O  O16  1  0.702  0.190  0.739  1.0
  O  O17  1  0.456  0.456  0.741  1.0
  O  O18  1  0.363  0.363  0.281  1.0
  O  O19  1  0.284  0.544  0.000  1.0
  O  O20  1  0.037  0.298  0.488  1.0
  O  O21  1  0.918  0.637  0.000  1.0
  O  O22  1  0.637  0.918  0.000  1.0
[/CIF]
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