The material described by MgYMo3O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-50°. Y(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form YO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, corners with eight equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, 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 43-55°. In the second Mo site, Mo(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with four equivalent Mo(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Y(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_YMgMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.094
_cell_length_b   6.409
_cell_length_c   5.140
_cell_angle_alpha   90.013
_cell_angle_beta   88.157
_cell_angle_gamma   121.707
_symmetry_Int_Tables_number   1
_cell_volume   170.668
_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  0.334  0.667  0.753  1.0
  Mg  Mg1  1  0.333  0.167  0.753  1.0
  Mo  Mo2  1  0.834  0.667  0.253  1.0
  Mo  Mo3  1  0.834  0.167  0.253  1.0
  Mo  Mo4  1  0.334  0.167  0.253  1.0
  O  O5  1  0.504  0.025  0.505  1.0
  O  O6  1  0.678  0.339  0.026  1.0
  O  O7  1  0.668  0.834  0.068  1.0
  O  O8  1  0.163  0.855  0.001  1.0
  O  O9  1  0.999  0.499  0.439  1.0
  O  O10  1  0.989  0.994  0.480  1.0
  O  O11  1  0.163  0.309  0.001  1.0
  O  O12  1  0.504  0.479  0.505  1.0
[/CIF]
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The material described by MgYMo3O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-50°. Y(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form YO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, corners with eight equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, 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 43-55°. In the second Mo site, Mo(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with four equivalent Mo(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Y(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_YMgMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.094
_cell_length_b   6.409
_cell_length_c   5.140
_cell_angle_alpha   90.013
_cell_angle_beta   88.157
_cell_angle_gamma   121.707
_symmetry_Int_Tables_number   1
_cell_volume   170.668
_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  0.334  0.667  0.753  1.0
  Mg  Mg1  1  0.333  0.167  0.753  1.0
  Mo  Mo2  1  0.834  0.667  0.253  1.0
  Mo  Mo3  1  0.834  0.167  0.253  1.0
  Mo  Mo4  1  0.334  0.167  0.253  1.0
  O  O5  1  0.504  0.025  0.505  1.0
  O  O6  1  0.678  0.339  0.026  1.0
  O  O7  1  0.668  0.834  0.068  1.0
  O  O8  1  0.163  0.855  0.001  1.0
  O  O9  1  0.999  0.499  0.439  1.0
  O  O10  1  0.989  0.994  0.480  1.0
  O  O11  1  0.163  0.309  0.001  1.0
  O  O12  1  0.504  0.479  0.505  1.0
[/CIF]
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