The material structure described by MgYMo3O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(7), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-82°. Y(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. 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  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. 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 distorted MoO6 octahedra that share corners with two equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. 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  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Y(1), one Mo(2), and one Mo(3) atom to form a mixture of corner and edge-sharing OYMgMo2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate 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 trigonal planar geometry to one Y(1), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Y(1), one Mo(1), and one Mo(2) atom to form a mixture of corner and edge-sharing OYMgMo2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a distorted 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 to one Mg(1), one Y(1), one Mo(1), and one Mo(3) atom to form a mixture of distorted corner and edge-sharing OYMgMo2 trigonal pyramids. is represented by the CIF card [CIF]
data_YMgMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.646
_cell_length_b   6.551
_cell_length_c   5.466
_cell_angle_alpha   114.473
_cell_angle_beta   64.726
_cell_angle_gamma   122.773
_symmetry_Int_Tables_number   1
_cell_volume   175.585
_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  0.284  0.707  0.548  1.0
  Mg  Mg1  1  0.552  0.448  0.803  1.0
  Mo  Mo2  1  0.841  0.664  0.268  1.0
  Mo  Mo3  1  0.847  0.154  0.246  1.0
  Mo  Mo4  1  0.336  0.159  0.274  1.0
  O  O5  1  0.483  0.091  0.507  1.0
  O  O6  1  0.727  0.297  0.055  1.0
  O  O7  1  0.698  0.777  0.088  1.0
  O  O8  1  0.187  0.791  0.008  1.0
  O  O9  1  0.905  0.519  0.505  1.0
  O  O10  1  0.942  0.031  0.474  1.0
  O  O11  1  0.223  0.312  0.099  1.0
  O  O12  1  0.486  0.531  0.539  1.0
[/CIF]
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The material structure described by MgYMo3O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(7), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-82°. Y(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. 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  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. 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 distorted MoO6 octahedra that share corners with two equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. 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  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Y(1), one Mo(2), and one Mo(3) atom to form a mixture of corner and edge-sharing OYMgMo2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate 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 trigonal planar geometry to one Y(1), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Y(1), one Mo(1), and one Mo(2) atom to form a mixture of corner and edge-sharing OYMgMo2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a distorted 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 to one Mg(1), one Y(1), one Mo(1), and one Mo(3) atom to form a mixture of distorted corner and edge-sharing OYMgMo2 trigonal pyramids. is represented by the CIF card [CIF]
data_YMgMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.646
_cell_length_b   6.551
_cell_length_c   5.466
_cell_angle_alpha   114.473
_cell_angle_beta   64.726
_cell_angle_gamma   122.773
_symmetry_Int_Tables_number   1
_cell_volume   175.585
_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  0.284  0.707  0.548  1.0
  Mg  Mg1  1  0.552  0.448  0.803  1.0
  Mo  Mo2  1  0.841  0.664  0.268  1.0
  Mo  Mo3  1  0.847  0.154  0.246  1.0
  Mo  Mo4  1  0.336  0.159  0.274  1.0
  O  O5  1  0.483  0.091  0.507  1.0
  O  O6  1  0.727  0.297  0.055  1.0
  O  O7  1  0.698  0.777  0.088  1.0
  O  O8  1  0.187  0.791  0.008  1.0
  O  O9  1  0.905  0.519  0.505  1.0
  O  O10  1  0.942  0.031  0.474  1.0
  O  O11  1  0.223  0.312  0.099  1.0
  O  O12  1  0.486  0.531  0.539  1.0
[/CIF]
.