The material described by Mg6MoCo crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Mg(3), two equivalent Mo(1), and one Co(1) atom. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to four equivalent Mg(3) and two equivalent Co(1) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Co(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to 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 Co(1) atoms to form a mixture of distorted corner and face-sharing MoMg10Co2 cuboctahedra. Co(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Mg6CoMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.659
_cell_length_b   5.843
_cell_length_c   6.207
_cell_angle_alpha   118.079
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.068
_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
  Co  Co0  1  0.000  0.798  0.596  1.0
  Mg  Mg1  1  1.000  0.345  0.166  1.0
  Mg  Mg2  1  1.000  0.821  0.166  1.0
  Mg  Mg3  1  0.000  0.326  0.652  1.0
  Mg  Mg4  1  0.500  0.166  0.845  1.0
  Mg  Mg5  1  0.500  0.680  0.845  1.0
  Mg  Mg6  1  0.500  0.171  0.342  1.0
  Mo  Mo7  1  0.500  0.694  0.388  1.0
[/CIF]
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The material described by Mg6MoCo crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Mg(3), two equivalent Mo(1), and one Co(1) atom. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to four equivalent Mg(3) and two equivalent Co(1) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Co(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to 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 Co(1) atoms to form a mixture of distorted corner and face-sharing MoMg10Co2 cuboctahedra. Co(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Mg6CoMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.659
_cell_length_b   5.843
_cell_length_c   6.207
_cell_angle_alpha   118.079
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.068
_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
  Co  Co0  1  0.000  0.798  0.596  1.0
  Mg  Mg1  1  1.000  0.345  0.166  1.0
  Mg  Mg2  1  1.000  0.821  0.166  1.0
  Mg  Mg3  1  0.000  0.326  0.652  1.0
  Mg  Mg4  1  0.500  0.166  0.845  1.0
  Mg  Mg5  1  0.500  0.680  0.845  1.0
  Mg  Mg6  1  0.500  0.171  0.342  1.0
  Mo  Mo7  1  0.500  0.694  0.388  1.0
[/CIF]
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