The material described by MgMo2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra; corners with four equivalent P(1,2)O4 tetrahedra; and faces with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra; corners with two equivalent Mo(2)O6 octahedra; and corners with four equivalent P(1,2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra; corners with four equivalent P(1,2)O4 tetrahedra; and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. P(1,2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1,2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1); one Mo(2); and one P(1,2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1); one Mo(2); and one P(1,2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1,2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1,2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1); one Mo(2); and one P(1,2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1); one Mo(2); and one P(1,2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1,2) atom. is represented by the CIF file [CIF]
data_MgMo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   5.217
_cell_length_c   7.520
_cell_angle_alpha   69.065
_cell_angle_beta   68.342
_cell_angle_gamma   89.926
_symmetry_Int_Tables_number   1
_cell_volume   188.822
_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  0.225  0.224  0.524  1.0
  Mo  Mo1  1  0.225  0.725  0.025  1.0
  Mo  Mo2  1  0.725  0.224  0.525  1.0
  P  P3  1  0.599  0.855  0.259  1.0
  P  P4  1  0.851  0.594  0.790  1.0
  O  O5  1  0.380  0.053  0.750  1.0
  O  O6  1  0.070  0.396  0.299  1.0
  O  O7  1  0.882  0.902  0.113  1.0
  O  O8  1  0.933  0.897  0.618  1.0
  O  O9  1  0.556  0.065  0.370  1.0
  O  O10  1  0.048  0.547  0.893  1.0
  O  O11  1  0.403  0.902  0.156  1.0
  O  O12  1  0.894  0.384  0.680  1.0
  O  O13  1  0.517  0.551  0.431  1.0
  O  O14  1  0.569  0.547  0.937  1.0
[/CIF]
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The material described by MgMo2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra; corners with four equivalent P(1,2)O4 tetrahedra; and faces with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra; corners with two equivalent Mo(2)O6 octahedra; and corners with four equivalent P(1,2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra; corners with four equivalent P(1,2)O4 tetrahedra; and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. P(1,2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1,2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1); one Mo(2); and one P(1,2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1); one Mo(2); and one P(1,2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1,2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1,2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1); one Mo(2); and one P(1,2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1); one Mo(2); and one P(1,2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1,2) atom. is represented by the CIF file [CIF]
data_MgMo2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   5.217
_cell_length_c   7.520
_cell_angle_alpha   69.065
_cell_angle_beta   68.342
_cell_angle_gamma   89.926
_symmetry_Int_Tables_number   1
_cell_volume   188.822
_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  0.225  0.224  0.524  1.0
  Mo  Mo1  1  0.225  0.725  0.025  1.0
  Mo  Mo2  1  0.725  0.224  0.525  1.0
  P  P3  1  0.599  0.855  0.259  1.0
  P  P4  1  0.851  0.594  0.790  1.0
  O  O5  1  0.380  0.053  0.750  1.0
  O  O6  1  0.070  0.396  0.299  1.0
  O  O7  1  0.882  0.902  0.113  1.0
  O  O8  1  0.933  0.897  0.618  1.0
  O  O9  1  0.556  0.065  0.370  1.0
  O  O10  1  0.048  0.547  0.893  1.0
  O  O11  1  0.403  0.902  0.156  1.0
  O  O12  1  0.894  0.384  0.680  1.0
  O  O13  1  0.517  0.551  0.431  1.0
  O  O14  1  0.569  0.547  0.937  1.0
[/CIF]
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