The crystal structure described by Mg6MoCu 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(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cu(1) atoms. 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 Cu(1) atoms to form distorted MgMg10Cu2 cuboctahedra that share corners with four equivalent Cu(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Mg10Cu2 cuboctahedra, edges with two equivalent Cu(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)Mg10Mo2 cuboctahedra, and faces with six equivalent Mo(1)Mg10Cu2 cuboctahedra. 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 Cu(1) atoms. 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. Mo(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cu(1) atoms to form MoMg10Cu2 cuboctahedra that share corners with six equivalent Mo(1)Mg10Cu2 cuboctahedra, edges with four equivalent Cu(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)Mg10Mo2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Cu2 cuboctahedra. Cu(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms to form distorted CuMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cu2 cuboctahedra, corners with six equivalent Cu(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg10Cu2 cuboctahedra, edges with four equivalent Mo(1)Mg10Cu2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra, faces with two equivalent Mo(1)Mg10Cu2 cuboctahedra, and faces with two equivalent Cu(1)Mg10Mo2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6CuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.810
_cell_length_b   6.067
_cell_length_c   6.087
_cell_angle_alpha   119.891
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   153.999
_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
  Cu  Cu0  1  0.000  0.817  0.635  1.0
  Mg  Mg1  1  0.000  0.355  0.182  1.0
  Mg  Mg2  1  0.000  0.827  0.182  1.0
  Mg  Mg3  1  0.000  0.334  0.668  1.0
  Mg  Mg4  1  0.500  0.155  0.830  1.0
  Mg  Mg5  1  0.500  0.675  0.830  1.0
  Mg  Mg6  1  0.500  0.166  0.332  1.0
  Mo  Mo7  1  0.500  0.671  0.341  1.0
[/CIF]
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The crystal structure described by Mg6MoCu 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(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cu(1) atoms. 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 Cu(1) atoms to form distorted MgMg10Cu2 cuboctahedra that share corners with four equivalent Cu(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Mg10Cu2 cuboctahedra, edges with two equivalent Cu(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)Mg10Mo2 cuboctahedra, and faces with six equivalent Mo(1)Mg10Cu2 cuboctahedra. 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 Cu(1) atoms. 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. Mo(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cu(1) atoms to form MoMg10Cu2 cuboctahedra that share corners with six equivalent Mo(1)Mg10Cu2 cuboctahedra, edges with four equivalent Cu(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)Mg10Mo2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Cu2 cuboctahedra. Cu(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms to form distorted CuMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cu2 cuboctahedra, corners with six equivalent Cu(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg10Cu2 cuboctahedra, edges with four equivalent Mo(1)Mg10Cu2 cuboctahedra, faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra, faces with two equivalent Mo(1)Mg10Cu2 cuboctahedra, and faces with two equivalent Cu(1)Mg10Mo2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6CuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.810
_cell_length_b   6.067
_cell_length_c   6.087
_cell_angle_alpha   119.891
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   153.999
_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
  Cu  Cu0  1  0.000  0.817  0.635  1.0
  Mg  Mg1  1  0.000  0.355  0.182  1.0
  Mg  Mg2  1  0.000  0.827  0.182  1.0
  Mg  Mg3  1  0.000  0.334  0.668  1.0
  Mg  Mg4  1  0.500  0.155  0.830  1.0
  Mg  Mg5  1  0.500  0.675  0.830  1.0
  Mg  Mg6  1  0.500  0.166  0.332  1.0
  Mo  Mo7  1  0.500  0.671  0.341  1.0
[/CIF]
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