The material structure described by MgMoP2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mo(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(7) atom. 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 corner-sharing PO4 tetrahedra. 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 corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to 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 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 an L-shaped geometry to one Mg(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 water-like geometry to one Mg(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. is represented by the CIF card [CIF]
data_MgMoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.041
_cell_length_b   6.682
_cell_length_c   6.018
_cell_angle_alpha   62.683
_cell_angle_beta   107.726
_cell_angle_gamma   79.550
_symmetry_Int_Tables_number   1
_cell_volume   158.718
_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  0.250  0.698  0.924  1.0
  Mo  Mo1  1  0.172  0.135  0.012  1.0
  P  P2  1  0.319  0.595  0.561  1.0
  P  P3  1  0.652  0.262  0.459  1.0
  O  O4  1  0.550  0.335  0.658  1.0
  O  O5  1  0.117  0.516  0.712  1.0
  O  O6  1  0.165  0.752  0.237  1.0
  O  O7  1  0.473  0.721  0.680  1.0
  O  O8  1  0.962  0.054  0.686  1.0
  O  O9  1  0.671  0.483  0.240  1.0
  O  O10  1  0.409  0.189  0.332  1.0
[/CIF]
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The material structure described by MgMoP2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mo(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(7) atom. 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 corner-sharing PO4 tetrahedra. 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 corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to 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 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 an L-shaped geometry to one Mg(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 water-like geometry to one Mg(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. is represented by the CIF card [CIF]
data_MgMoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.041
_cell_length_b   6.682
_cell_length_c   6.018
_cell_angle_alpha   62.683
_cell_angle_beta   107.726
_cell_angle_gamma   79.550
_symmetry_Int_Tables_number   1
_cell_volume   158.718
_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  0.250  0.698  0.924  1.0
  Mo  Mo1  1  0.172  0.135  0.012  1.0
  P  P2  1  0.319  0.595  0.561  1.0
  P  P3  1  0.652  0.262  0.459  1.0
  O  O4  1  0.550  0.335  0.658  1.0
  O  O5  1  0.117  0.516  0.712  1.0
  O  O6  1  0.165  0.752  0.237  1.0
  O  O7  1  0.473  0.721  0.680  1.0
  O  O8  1  0.962  0.054  0.686  1.0
  O  O9  1  0.671  0.483  0.240  1.0
  O  O10  1  0.409  0.189  0.332  1.0
[/CIF]
.