The crystal structure described by MgMo2(PO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-60°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-60°. There are five 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. In the third O site, O(3) is bonded in a 3-coordinate 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 3-coordinate geometry to one Mg(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.195
_cell_length_b   6.651
_cell_length_c   6.714
_cell_angle_alpha   90.808
_cell_angle_beta   86.656
_cell_angle_gamma   93.022
_symmetry_Int_Tables_number   1
_cell_volume   186.736
_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
  Mg  Mg0  1  0.006  0.505  0.001  1.0
  Mo  Mo1  1  0.659  0.762  0.746  1.0
  Mo  Mo2  1  0.352  0.248  0.257  1.0
  P  P3  1  0.500  0.756  0.254  1.0
  P  P4  1  0.512  0.253  0.749  1.0
  O  O5  1  0.695  0.759  0.438  1.0
  O  O6  1  0.709  0.067  0.763  1.0
  O  O7  1  0.741  0.447  0.756  1.0
  O  O8  1  0.726  0.741  0.062  1.0
  O  O9  1  0.803  0.287  0.219  1.0
  O  O10  1  0.208  0.723  0.784  1.0
  O  O11  1  0.284  0.268  0.941  1.0
  O  O12  1  0.271  0.563  0.248  1.0
  O  O13  1  0.303  0.943  0.240  1.0
  O  O14  1  0.317  0.252  0.565  1.0
[/CIF]
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The crystal structure described by MgMo2(PO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-60°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-60°. There are five 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. In the third O site, O(3) is bonded in a 3-coordinate 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 3-coordinate geometry to one Mg(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.195
_cell_length_b   6.651
_cell_length_c   6.714
_cell_angle_alpha   90.808
_cell_angle_beta   86.656
_cell_angle_gamma   93.022
_symmetry_Int_Tables_number   1
_cell_volume   186.736
_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
  Mg  Mg0  1  0.006  0.505  0.001  1.0
  Mo  Mo1  1  0.659  0.762  0.746  1.0
  Mo  Mo2  1  0.352  0.248  0.257  1.0
  P  P3  1  0.500  0.756  0.254  1.0
  P  P4  1  0.512  0.253  0.749  1.0
  O  O5  1  0.695  0.759  0.438  1.0
  O  O6  1  0.709  0.067  0.763  1.0
  O  O7  1  0.741  0.447  0.756  1.0
  O  O8  1  0.726  0.741  0.062  1.0
  O  O9  1  0.803  0.287  0.219  1.0
  O  O10  1  0.208  0.723  0.784  1.0
  O  O11  1  0.284  0.268  0.941  1.0
  O  O12  1  0.271  0.563  0.248  1.0
  O  O13  1  0.303  0.943  0.240  1.0
  O  O14  1  0.317  0.252  0.565  1.0
[/CIF]
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