The structure described by CsMg6Mo crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms to form a mixture of distorted corner and face-sharing CsMg10Mo2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mo(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and one Mo(1) atom. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. Mo(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_CsMg6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.563
_cell_length_b   6.563
_cell_length_c   5.300
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.529
_symmetry_Int_Tables_number   1
_cell_volume   202.401
_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
  Cs  Cs0  1  0.358  0.642  0.500  1.0
  Mg  Mg1  1  0.886  0.693  0.500  1.0
  Mg  Mg2  1  0.307  0.114  0.500  1.0
  Mg  Mg3  1  0.824  0.176  0.500  1.0
  Mg  Mg4  1  0.699  0.863  0.000  1.0
  Mg  Mg5  1  0.137  0.301  0.000  1.0
  Mg  Mg6  1  0.657  0.343  0.000  1.0
  Mo  Mo7  1  0.132  0.868  0.000  1.0
[/CIF]
.
The structure described by CsMg6Mo crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms to form a mixture of distorted corner and face-sharing CsMg10Mo2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mo(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and one Mo(1) atom. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. Mo(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_CsMg6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.563
_cell_length_b   6.563
_cell_length_c   5.300
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.529
_symmetry_Int_Tables_number   1
_cell_volume   202.401
_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
  Cs  Cs0  1  0.358  0.642  0.500  1.0
  Mg  Mg1  1  0.886  0.693  0.500  1.0
  Mg  Mg2  1  0.307  0.114  0.500  1.0
  Mg  Mg3  1  0.824  0.176  0.500  1.0
  Mg  Mg4  1  0.699  0.863  0.000  1.0
  Mg  Mg5  1  0.137  0.301  0.000  1.0
  Mg  Mg6  1  0.657  0.343  0.000  1.0
  Mo  Mo7  1  0.132  0.868  0.000  1.0
[/CIF]
.