The crystal structure described by MgMo2(PO5)2 crystallizes in the orthorhombic Fdd2 space group. Mg(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Mo(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.919
_cell_length_b   8.741
_cell_length_c   7.103
_cell_angle_alpha   76.741
_cell_angle_beta   59.073
_cell_angle_gamma   44.186
_symmetry_Int_Tables_number   1
_cell_volume   358.081
_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
  Mg  Mg0  1  0.501  0.999  0.999  1.0
  Mg  Mg1  1  0.251  0.749  0.749  1.0
  Mo  Mo2  1  0.872  0.380  0.380  1.0
  Mo  Mo3  1  0.368  0.380  0.380  1.0
  Mo  Mo4  1  0.870  0.378  0.882  1.0
  Mo  Mo5  1  0.870  0.882  0.378  1.0
  P  P6  1  0.042  0.555  0.957  1.0
  P  P7  1  0.695  0.208  0.803  1.0
  P  P8  1  0.447  0.957  0.555  1.0
  P  P9  1  0.293  0.803  0.208  1.0
  O  O10  1  0.563  0.722  0.468  1.0
  O  O11  1  0.662  0.176  0.336  1.0
  O  O12  1  0.307  0.675  0.403  1.0
  O  O13  1  0.782  0.003  0.687  1.0
  O  O14  1  0.214  0.065  0.759  1.0
  O  O15  1  0.430  0.087  0.363  1.0
  O  O16  1  0.074  0.588  0.423  1.0
  O  O17  1  0.827  0.336  0.176  1.0
  O  O18  1  0.914  0.423  0.588  1.0
  O  O19  1  0.185  0.036  0.287  1.0
  O  O20  1  0.247  0.468  0.722  1.0
  O  O21  1  0.491  0.287  0.036  1.0
  O  O22  1  0.963  0.759  0.065  1.0
  O  O23  1  0.163  0.820  0.131  1.0
  O  O24  1  0.119  0.363  0.087  1.0
  O  O25  1  0.887  0.131  0.820  1.0
  O  O26  1  0.847  0.635  0.943  1.0
  O  O27  1  0.615  0.403  0.675  1.0
  O  O28  1  0.528  0.687  0.003  1.0
  O  O29  1  0.575  0.943  0.635  1.0
[/CIF]
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The crystal structure described by MgMo2(PO5)2 crystallizes in the orthorhombic Fdd2 space group. Mg(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Mo(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.919
_cell_length_b   8.741
_cell_length_c   7.103
_cell_angle_alpha   76.741
_cell_angle_beta   59.073
_cell_angle_gamma   44.186
_symmetry_Int_Tables_number   1
_cell_volume   358.081
_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
  Mg  Mg0  1  0.501  0.999  0.999  1.0
  Mg  Mg1  1  0.251  0.749  0.749  1.0
  Mo  Mo2  1  0.872  0.380  0.380  1.0
  Mo  Mo3  1  0.368  0.380  0.380  1.0
  Mo  Mo4  1  0.870  0.378  0.882  1.0
  Mo  Mo5  1  0.870  0.882  0.378  1.0
  P  P6  1  0.042  0.555  0.957  1.0
  P  P7  1  0.695  0.208  0.803  1.0
  P  P8  1  0.447  0.957  0.555  1.0
  P  P9  1  0.293  0.803  0.208  1.0
  O  O10  1  0.563  0.722  0.468  1.0
  O  O11  1  0.662  0.176  0.336  1.0
  O  O12  1  0.307  0.675  0.403  1.0
  O  O13  1  0.782  0.003  0.687  1.0
  O  O14  1  0.214  0.065  0.759  1.0
  O  O15  1  0.430  0.087  0.363  1.0
  O  O16  1  0.074  0.588  0.423  1.0
  O  O17  1  0.827  0.336  0.176  1.0
  O  O18  1  0.914  0.423  0.588  1.0
  O  O19  1  0.185  0.036  0.287  1.0
  O  O20  1  0.247  0.468  0.722  1.0
  O  O21  1  0.491  0.287  0.036  1.0
  O  O22  1  0.963  0.759  0.065  1.0
  O  O23  1  0.163  0.820  0.131  1.0
  O  O24  1  0.119  0.363  0.087  1.0
  O  O25  1  0.887  0.131  0.820  1.0
  O  O26  1  0.847  0.635  0.943  1.0
  O  O27  1  0.615  0.403  0.675  1.0
  O  O28  1  0.528  0.687  0.003  1.0
  O  O29  1  0.575  0.943  0.635  1.0
[/CIF]
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