The compound described by Mg6YMo crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and two equivalent Mo(1) atoms to form distorted MgY2Mg8Mo2 cuboctahedra that share corners with four equivalent Mg(2)Y2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, edges with two equivalent Mg(2)Y2Mg10 cuboctahedra, edges with two equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, edges with four equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, edges with four equivalent Mo(1)Y2Mg10 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with two equivalent Mo(1)Y2Mg10 cuboctahedra, faces with four equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, and faces with eight equivalent Mg(3)Y2Mg8Mo2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form distorted MgY2Mg10 cuboctahedra that share corners with six equivalent Mg(2)Y2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, edges with four equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, edges with eight equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with four equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, faces with four equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, and faces with six equivalent Mo(1)Y2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and two equivalent Mo(1) atoms to form distorted MgY2Mg8Mo2 cuboctahedra that share corners with four equivalent Mo(1)Y2Mg10 cuboctahedra, corners with ten equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, edges with two equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, edges with two equivalent Mo(1)Y2Mg10 cuboctahedra, edges with four equivalent Mg(2)Y2Mg10 cuboctahedra, edges with four equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with two equivalent Mo(1)Y2Mg10 cuboctahedra, faces with four equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, and faces with eight equivalent Mg(1)Y2Mg8Mo2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. Y(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. Mo(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form MoY2Mg10 cuboctahedra that share corners with six equivalent Mo(1)Y2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, edges with four equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, edges with eight equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, faces with two equivalent Mo(1)Y2Mg10 cuboctahedra, faces with four equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, faces with four equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, and faces with six equivalent Mg(2)Y2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YMg6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   6.291
_cell_length_c   6.454
_cell_angle_alpha   119.169
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.707
_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  1.000  0.339  0.153  1.0
  Mg  Mg1  1  0.000  0.814  0.153  1.0
  Mg  Mg2  1  0.000  0.332  0.665  1.0
  Mg  Mg3  1  0.500  0.178  0.851  1.0
  Mg  Mg4  1  0.500  0.672  0.851  1.0
  Mg  Mg5  1  0.500  0.170  0.340  1.0
  Mo  Mo6  1  0.500  0.684  0.367  1.0
  Y  Y7  1  0.000  0.810  0.621  1.0
[/CIF]
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The compound described by Mg6YMo crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and two equivalent Mo(1) atoms to form distorted MgY2Mg8Mo2 cuboctahedra that share corners with four equivalent Mg(2)Y2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, edges with two equivalent Mg(2)Y2Mg10 cuboctahedra, edges with two equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, edges with four equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, edges with four equivalent Mo(1)Y2Mg10 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with two equivalent Mo(1)Y2Mg10 cuboctahedra, faces with four equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, and faces with eight equivalent Mg(3)Y2Mg8Mo2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form distorted MgY2Mg10 cuboctahedra that share corners with six equivalent Mg(2)Y2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, edges with four equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, edges with eight equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with four equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, faces with four equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, and faces with six equivalent Mo(1)Y2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and two equivalent Mo(1) atoms to form distorted MgY2Mg8Mo2 cuboctahedra that share corners with four equivalent Mo(1)Y2Mg10 cuboctahedra, corners with ten equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, edges with two equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, edges with two equivalent Mo(1)Y2Mg10 cuboctahedra, edges with four equivalent Mg(2)Y2Mg10 cuboctahedra, edges with four equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with two equivalent Mo(1)Y2Mg10 cuboctahedra, faces with four equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, and faces with eight equivalent Mg(1)Y2Mg8Mo2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. Y(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. Mo(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form MoY2Mg10 cuboctahedra that share corners with six equivalent Mo(1)Y2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, edges with four equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, edges with eight equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, faces with two equivalent Mo(1)Y2Mg10 cuboctahedra, faces with four equivalent Mg(1)Y2Mg8Mo2 cuboctahedra, faces with four equivalent Mg(3)Y2Mg8Mo2 cuboctahedra, and faces with six equivalent Mg(2)Y2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YMg6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   6.291
_cell_length_c   6.454
_cell_angle_alpha   119.169
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.707
_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  1.000  0.339  0.153  1.0
  Mg  Mg1  1  0.000  0.814  0.153  1.0
  Mg  Mg2  1  0.000  0.332  0.665  1.0
  Mg  Mg3  1  0.500  0.178  0.851  1.0
  Mg  Mg4  1  0.500  0.672  0.851  1.0
  Mg  Mg5  1  0.500  0.170  0.340  1.0
  Mo  Mo6  1  0.500  0.684  0.367  1.0
  Y  Y7  1  0.000  0.810  0.621  1.0
[/CIF]
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