The crystal structure described by MgMo2(PO5)2 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Mo(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form MoO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O5 square pyramids. In the second P site, P(2) is bonded to four equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O5 square pyramids. There are three 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 one Mo(1) and one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF file [CIF]
data_MgMo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   6.505
_cell_length_c   6.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.503
_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  0.000  0.750  0.250  1.0
  Mo  Mo1  1  0.724  0.750  0.750  1.0
  Mo  Mo2  1  0.276  0.250  0.250  1.0
  P  P3  1  0.500  0.750  0.250  1.0
  P  P4  1  0.500  0.250  0.750  1.0
  O  O5  1  0.690  0.797  0.424  1.0
  O  O6  1  0.659  0.057  0.799  1.0
  O  O7  1  0.659  0.443  0.701  1.0
  O  O8  1  0.690  0.703  0.076  1.0
  O  O9  1  0.940  0.250  0.250  1.0
  O  O10  1  0.060  0.750  0.750  1.0
  O  O11  1  0.341  0.299  0.943  1.0
  O  O12  1  0.310  0.576  0.297  1.0
  O  O13  1  0.310  0.924  0.203  1.0
  O  O14  1  0.341  0.201  0.557  1.0
[/CIF]
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The crystal structure described by MgMo2(PO5)2 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Mo(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form MoO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O5 square pyramids. In the second P site, P(2) is bonded to four equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O5 square pyramids. There are three 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 one Mo(1) and one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF file [CIF]
data_MgMo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   6.505
_cell_length_c   6.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.503
_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  0.000  0.750  0.250  1.0
  Mo  Mo1  1  0.724  0.750  0.750  1.0
  Mo  Mo2  1  0.276  0.250  0.250  1.0
  P  P3  1  0.500  0.750  0.250  1.0
  P  P4  1  0.500  0.250  0.750  1.0
  O  O5  1  0.690  0.797  0.424  1.0
  O  O6  1  0.659  0.057  0.799  1.0
  O  O7  1  0.659  0.443  0.701  1.0
  O  O8  1  0.690  0.703  0.076  1.0
  O  O9  1  0.940  0.250  0.250  1.0
  O  O10  1  0.060  0.750  0.750  1.0
  O  O11  1  0.341  0.299  0.943  1.0
  O  O12  1  0.310  0.576  0.297  1.0
  O  O13  1  0.310  0.924  0.203  1.0
  O  O14  1  0.341  0.201  0.557  1.0
[/CIF]
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