The material described by MgYMo3O8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and faces with two equivalent Y(1)O6 octahedra. Y(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted YO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-48°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Mg(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 47-48°. In the second Mo site, Mo(2) 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 Y(1)O6 octahedra, edges with two equivalent Mg(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 are 46°. In the third Mo site, Mo(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Mg(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 44-47°. There are four 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(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) 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 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. is represented by the CIF card [CIF]
data_YMgMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.268
_cell_length_b   6.231
_cell_length_c   5.513
_cell_angle_alpha   90.543
_cell_angle_beta   89.924
_cell_angle_gamma   120.905
_symmetry_Int_Tables_number   1
_cell_volume   184.745
_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  0.667  0.253  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  0.333  0.167  0.253  1.0
  O  O5  1  0.497  0.988  0.462  1.0
  O  O6  1  0.660  0.316  0.068  1.0
  O  O7  1  0.653  0.832  0.047  1.0
  O  O8  1  0.184  0.835  0.049  1.0
  O  O9  1  0.014  0.502  0.459  1.0
  O  O10  1  0.007  0.017  0.439  1.0
  O  O11  1  0.169  0.345  0.044  1.0
  O  O12  1  0.483  0.499  0.457  1.0
[/CIF]
.
The material described by MgYMo3O8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and faces with two equivalent Y(1)O6 octahedra. Y(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted YO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-48°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Mg(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 47-48°. In the second Mo site, Mo(2) 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 Y(1)O6 octahedra, edges with two equivalent Mg(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 are 46°. In the third Mo site, Mo(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Mg(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 44-47°. There are four 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(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) 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 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. is represented by the CIF card [CIF]
data_YMgMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.268
_cell_length_b   6.231
_cell_length_c   5.513
_cell_angle_alpha   90.543
_cell_angle_beta   89.924
_cell_angle_gamma   120.905
_symmetry_Int_Tables_number   1
_cell_volume   184.745
_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  0.667  0.253  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  0.333  0.167  0.253  1.0
  O  O5  1  0.497  0.988  0.462  1.0
  O  O6  1  0.660  0.316  0.068  1.0
  O  O7  1  0.653  0.832  0.047  1.0
  O  O8  1  0.184  0.835  0.049  1.0
  O  O9  1  0.014  0.502  0.459  1.0
  O  O10  1  0.007  0.017  0.439  1.0
  O  O11  1  0.169  0.345  0.044  1.0
  O  O12  1  0.483  0.499  0.457  1.0
[/CIF]
.