The compound described by MgMoP2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. Mo(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, 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 three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-48°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one P(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-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), one Mo(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.259
_cell_length_b   5.990
_cell_length_c   5.019
_cell_angle_alpha   88.097
_cell_angle_beta   97.081
_cell_angle_gamma   74.286
_symmetry_Int_Tables_number   1
_cell_volume   150.678
_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  0.727  0.795  0.556  1.0
  Mo  Mo1  1  0.149  0.110  0.976  1.0
  P  P2  1  0.244  0.669  0.580  1.0
  P  P3  1  0.682  0.247  0.403  1.0
  O  O4  1  0.511  0.506  0.472  1.0
  O  O5  1  0.096  0.550  0.756  1.0
  O  O6  1  0.048  0.787  0.334  1.0
  O  O7  1  0.392  0.831  0.733  1.0
  O  O8  1  0.798  0.111  0.680  1.0
  O  O9  1  0.875  0.312  0.238  1.0
  O  O10  1  0.502  0.105  0.273  1.0
[/CIF]
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The compound described by MgMoP2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. Mo(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, 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 three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-48°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one P(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-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), one Mo(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.259
_cell_length_b   5.990
_cell_length_c   5.019
_cell_angle_alpha   88.097
_cell_angle_beta   97.081
_cell_angle_gamma   74.286
_symmetry_Int_Tables_number   1
_cell_volume   150.678
_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  0.727  0.795  0.556  1.0
  Mo  Mo1  1  0.149  0.110  0.976  1.0
  P  P2  1  0.244  0.669  0.580  1.0
  P  P3  1  0.682  0.247  0.403  1.0
  O  O4  1  0.511  0.506  0.472  1.0
  O  O5  1  0.096  0.550  0.756  1.0
  O  O6  1  0.048  0.787  0.334  1.0
  O  O7  1  0.392  0.831  0.733  1.0
  O  O8  1  0.798  0.111  0.680  1.0
  O  O9  1  0.875  0.312  0.238  1.0
  O  O10  1  0.502  0.105  0.273  1.0
[/CIF]
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