The material described by Mo2(PO4)3 crystallizes in the trigonal R-3c space group. Mo(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-29°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Mo2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.661
_cell_length_b   8.849
_cell_length_c   8.660
_cell_angle_alpha   89.998
_cell_angle_beta   59.999
_cell_angle_gamma   119.295
_symmetry_Int_Tables_number   1
_cell_volume   474.239
_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
  Mo  Mo0  1  0.284  0.925  0.358  1.0
  Mo  Mo1  1  0.284  0.425  0.858  1.0
  Mo  Mo2  1  0.716  0.575  0.142  1.0
  Mo  Mo3  1  0.716  0.075  0.642  1.0
  P  P4  1  0.784  0.750  0.750  1.0
  P  P5  1  0.500  0.250  0.534  1.0
  P  P6  1  0.500  0.750  0.465  1.0
  P  P7  1  0.216  0.250  0.250  1.0
  P  P8  1  0.785  0.250  0.965  1.0
  P  P9  1  0.216  0.750  0.034  1.0
  O  O10  1  0.641  0.920  0.495  1.0
  O  O11  1  0.017  0.728  0.061  1.0
  O  O12  1  0.217  0.581  0.005  1.0
  O  O13  1  0.211  0.772  0.211  1.0
  O  O14  1  0.983  0.272  0.939  1.0
  O  O15  1  0.784  0.419  0.995  1.0
  O  O16  1  0.789  0.228  0.789  1.0
  O  O17  1  0.790  0.729  0.921  1.0
  O  O18  1  0.983  0.772  0.578  1.0
  O  O19  1  0.650  0.229  0.561  1.0
  O  O20  1  0.783  0.919  0.721  1.0
  O  O21  1  0.586  0.580  0.779  1.0
  O  O22  1  0.586  0.081  0.136  1.0
  O  O23  1  0.641  0.419  0.364  1.0
  O  O24  1  0.210  0.271  0.079  1.0
  O  O25  1  0.350  0.272  0.711  1.0
  O  O26  1  0.650  0.728  0.289  1.0
  O  O27  1  0.359  0.080  0.505  1.0
  O  O28  1  0.414  0.919  0.864  1.0
  O  O29  1  0.359  0.581  0.636  1.0
  O  O30  1  0.217  0.081  0.279  1.0
  O  O31  1  0.414  0.420  0.221  1.0
  O  O32  1  0.350  0.771  0.439  1.0
  O  O33  1  0.017  0.228  0.421  1.0
[/CIF]
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The material described by Mo2(PO4)3 crystallizes in the trigonal R-3c space group. Mo(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-29°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Mo2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.661
_cell_length_b   8.849
_cell_length_c   8.660
_cell_angle_alpha   89.998
_cell_angle_beta   59.999
_cell_angle_gamma   119.295
_symmetry_Int_Tables_number   1
_cell_volume   474.239
_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
  Mo  Mo0  1  0.284  0.925  0.358  1.0
  Mo  Mo1  1  0.284  0.425  0.858  1.0
  Mo  Mo2  1  0.716  0.575  0.142  1.0
  Mo  Mo3  1  0.716  0.075  0.642  1.0
  P  P4  1  0.784  0.750  0.750  1.0
  P  P5  1  0.500  0.250  0.534  1.0
  P  P6  1  0.500  0.750  0.465  1.0
  P  P7  1  0.216  0.250  0.250  1.0
  P  P8  1  0.785  0.250  0.965  1.0
  P  P9  1  0.216  0.750  0.034  1.0
  O  O10  1  0.641  0.920  0.495  1.0
  O  O11  1  0.017  0.728  0.061  1.0
  O  O12  1  0.217  0.581  0.005  1.0
  O  O13  1  0.211  0.772  0.211  1.0
  O  O14  1  0.983  0.272  0.939  1.0
  O  O15  1  0.784  0.419  0.995  1.0
  O  O16  1  0.789  0.228  0.789  1.0
  O  O17  1  0.790  0.729  0.921  1.0
  O  O18  1  0.983  0.772  0.578  1.0
  O  O19  1  0.650  0.229  0.561  1.0
  O  O20  1  0.783  0.919  0.721  1.0
  O  O21  1  0.586  0.580  0.779  1.0
  O  O22  1  0.586  0.081  0.136  1.0
  O  O23  1  0.641  0.419  0.364  1.0
  O  O24  1  0.210  0.271  0.079  1.0
  O  O25  1  0.350  0.272  0.711  1.0
  O  O26  1  0.650  0.728  0.289  1.0
  O  O27  1  0.359  0.080  0.505  1.0
  O  O28  1  0.414  0.919  0.864  1.0
  O  O29  1  0.359  0.581  0.636  1.0
  O  O30  1  0.217  0.081  0.279  1.0
  O  O31  1  0.414  0.420  0.221  1.0
  O  O32  1  0.350  0.771  0.439  1.0
  O  O33  1  0.017  0.228  0.421  1.0
[/CIF]
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