The material structure described by MgYMo3O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(6), and one O(7) atom. Y(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form YO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and corners with four equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the third Mo site, Mo(3) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Y(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Y(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Y(1), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Mg(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Y(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Y(1), one Mo(1), and one Mo(3) atom. is represented by the CIF card [CIF]
data_YMgMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.243
_cell_length_b   6.400
_cell_length_c   5.084
_cell_angle_alpha   89.723
_cell_angle_beta   89.417
_cell_angle_gamma   119.313
_symmetry_Int_Tables_number   1
_cell_volume   177.080
_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
  Y  Y0  1  0.333  0.665  0.759  1.0
  Mg  Mg1  1  0.002  0.002  0.823  1.0
  Mo  Mo2  1  0.828  0.656  0.272  1.0
  Mo  Mo3  1  0.820  0.168  0.264  1.0
  Mo  Mo4  1  0.343  0.168  0.264  1.0
  O  O5  1  0.514  0.001  0.491  1.0
  O  O6  1  0.684  0.340  0.055  1.0
  O  O7  1  0.690  0.840  0.023  1.0
  O  O8  1  0.150  0.840  0.018  1.0
  O  O9  1  0.991  0.502  0.471  1.0
  O  O10  1  0.991  0.000  0.455  1.0
  O  O11  1  0.146  0.305  0.018  1.0
  O  O12  1  0.511  0.504  0.473  1.0
[/CIF]
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The material structure described by MgYMo3O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(6), and one O(7) atom. Y(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form YO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and corners with four equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the third Mo site, Mo(3) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Y(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Y(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Y(1), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Mg(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Y(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Y(1), one Mo(1), and one Mo(3) atom. is represented by the CIF card [CIF]
data_YMgMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.243
_cell_length_b   6.400
_cell_length_c   5.084
_cell_angle_alpha   89.723
_cell_angle_beta   89.417
_cell_angle_gamma   119.313
_symmetry_Int_Tables_number   1
_cell_volume   177.080
_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
  Y  Y0  1  0.333  0.665  0.759  1.0
  Mg  Mg1  1  0.002  0.002  0.823  1.0
  Mo  Mo2  1  0.828  0.656  0.272  1.0
  Mo  Mo3  1  0.820  0.168  0.264  1.0
  Mo  Mo4  1  0.343  0.168  0.264  1.0
  O  O5  1  0.514  0.001  0.491  1.0
  O  O6  1  0.684  0.340  0.055  1.0
  O  O7  1  0.690  0.840  0.023  1.0
  O  O8  1  0.150  0.840  0.018  1.0
  O  O9  1  0.991  0.502  0.471  1.0
  O  O10  1  0.991  0.000  0.455  1.0
  O  O11  1  0.146  0.305  0.018  1.0
  O  O12  1  0.511  0.504  0.473  1.0
[/CIF]
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