The material described by CaMg5 crystallizes in the hexagonal P-62m space group. Ca(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form CaMg12 cuboctahedra that share corners with eighteen equivalent Mg(2)Ca3Mg9 cuboctahedra, edges with six equivalent Ca(1)Mg12 cuboctahedra, faces with two equivalent Ca(1)Mg12 cuboctahedra, and faces with six equivalent Mg(2)Ca3Mg9 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Mg(1), and four equivalent Mg(2) atoms. In the second Mg site, Mg(2) is bonded to three equivalent Ca(1), three equivalent Mg(2), and six equivalent Mg(1) atoms to form distorted MgCa3Mg9 cuboctahedra that share corners with nine equivalent Ca(1)Mg12 cuboctahedra, corners with nine equivalent Mg(2)Ca3Mg9 cuboctahedra, edges with six equivalent Mg(2)Ca3Mg9 cuboctahedra, faces with three equivalent Ca(1)Mg12 cuboctahedra, and faces with five equivalent Mg(2)Ca3Mg9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.844
_cell_length_b   5.844
_cell_length_c   5.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   152.950
_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  0.000  0.000  0.500  1.0
  Mg  Mg1  1  0.000  0.608  0.000  1.0
  Mg  Mg2  1  0.608  0.000  0.000  1.0
  Mg  Mg3  1  0.392  0.392  0.000  1.0
  Mg  Mg4  1  0.667  0.333  0.500  1.0
  Mg  Mg5  1  0.333  0.667  0.500  1.0
[/CIF]
.
The material described by CaMg5 crystallizes in the hexagonal P-62m space group. Ca(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form CaMg12 cuboctahedra that share corners with eighteen equivalent Mg(2)Ca3Mg9 cuboctahedra, edges with six equivalent Ca(1)Mg12 cuboctahedra, faces with two equivalent Ca(1)Mg12 cuboctahedra, and faces with six equivalent Mg(2)Ca3Mg9 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Mg(1), and four equivalent Mg(2) atoms. In the second Mg site, Mg(2) is bonded to three equivalent Ca(1), three equivalent Mg(2), and six equivalent Mg(1) atoms to form distorted MgCa3Mg9 cuboctahedra that share corners with nine equivalent Ca(1)Mg12 cuboctahedra, corners with nine equivalent Mg(2)Ca3Mg9 cuboctahedra, edges with six equivalent Mg(2)Ca3Mg9 cuboctahedra, faces with three equivalent Ca(1)Mg12 cuboctahedra, and faces with five equivalent Mg(2)Ca3Mg9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.844
_cell_length_b   5.844
_cell_length_c   5.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   152.950
_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  0.000  0.000  0.500  1.0
  Mg  Mg1  1  0.000  0.608  0.000  1.0
  Mg  Mg2  1  0.608  0.000  0.000  1.0
  Mg  Mg3  1  0.392  0.392  0.000  1.0
  Mg  Mg4  1  0.667  0.333  0.500  1.0
  Mg  Mg5  1  0.333  0.667  0.500  1.0
[/CIF]
.