The compound described by CaMg6Cu crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cu(1) atoms to form a mixture of corner and face-sharing CaMg10Cu2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Cu(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cu(1) atoms. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMg6Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   6.217
_cell_length_c   6.593
_cell_angle_alpha   118.130
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.610
_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
  Ca  Ca0  1  0.500  0.177  0.354  1.0
  Cu  Cu1  1  0.500  0.651  0.303  1.0
  Mg  Mg2  1  0.500  0.673  0.852  1.0
  Mg  Mg3  1  0.500  0.179  0.852  1.0
  Mg  Mg4  1  1.000  0.820  0.162  1.0
  Mg  Mg5  1  0.000  0.342  0.162  1.0
  Mg  Mg6  1  1.000  0.340  0.680  1.0
  Mg  Mg7  1  1.000  0.817  0.635  1.0
[/CIF]
.
The compound described by CaMg6Cu crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cu(1) atoms to form a mixture of corner and face-sharing CaMg10Cu2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Cu(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cu(1) atoms. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMg6Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   6.217
_cell_length_c   6.593
_cell_angle_alpha   118.130
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.610
_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
  Ca  Ca0  1  0.500  0.177  0.354  1.0
  Cu  Cu1  1  0.500  0.651  0.303  1.0
  Mg  Mg2  1  0.500  0.673  0.852  1.0
  Mg  Mg3  1  0.500  0.179  0.852  1.0
  Mg  Mg4  1  1.000  0.820  0.162  1.0
  Mg  Mg5  1  0.000  0.342  0.162  1.0
  Mg  Mg6  1  1.000  0.340  0.680  1.0
  Mg  Mg7  1  1.000  0.817  0.635  1.0
[/CIF]
.