The crystal structure described by CaMg6C crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2) and four equivalent Mg(4) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an L-shaped geometry to two equivalent Mg(4) and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Mg(2) and one C(1) atom. In the fourth Mg site, Mg(4) is bonded to four equivalent Ca(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms to form MgCa4Mg8 cuboctahedra that share corners with six equivalent Mg(4)Ca4Mg8 cuboctahedra, corners with four equivalent C(1)Mg6 pentagonal pyramids, edges with two equivalent Mg(4)Ca4Mg8 cuboctahedra, edges with two equivalent C(1)Mg6 pentagonal pyramids, and faces with two equivalent Mg(4)Ca4Mg8 cuboctahedra. C(1) is bonded to two equivalent Mg(3) and four equivalent Mg(1) atoms to form distorted CMg6 pentagonal pyramids that share corners with four equivalent Mg(4)Ca4Mg8 cuboctahedra, edges with two equivalent Mg(4)Ca4Mg8 cuboctahedra, and edges with two equivalent C(1)Mg6 pentagonal pyramids. is represented by the CIF card [CIF]
data_CaMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.759
_cell_length_b   9.759
_cell_length_c   3.313
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.973
_symmetry_Int_Tables_number   1
_cell_volume   185.567
_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  0.210  0.790  0.000  1.0
  Mg  Mg1  1  0.180  0.366  0.000  1.0
  Mg  Mg2  1  0.634  0.820  0.000  1.0
  Mg  Mg3  1  0.656  0.344  0.000  1.0
  Mg  Mg4  1  0.293  0.212  0.500  1.0
  Mg  Mg5  1  0.788  0.707  0.500  1.0
  Mg  Mg6  1  0.793  0.207  0.500  1.0
  C  C7  1  0.445  0.555  0.500  1.0
[/CIF]
.
The crystal structure described by CaMg6C crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2) and four equivalent Mg(4) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an L-shaped geometry to two equivalent Mg(4) and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Mg(2) and one C(1) atom. In the fourth Mg site, Mg(4) is bonded to four equivalent Ca(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms to form MgCa4Mg8 cuboctahedra that share corners with six equivalent Mg(4)Ca4Mg8 cuboctahedra, corners with four equivalent C(1)Mg6 pentagonal pyramids, edges with two equivalent Mg(4)Ca4Mg8 cuboctahedra, edges with two equivalent C(1)Mg6 pentagonal pyramids, and faces with two equivalent Mg(4)Ca4Mg8 cuboctahedra. C(1) is bonded to two equivalent Mg(3) and four equivalent Mg(1) atoms to form distorted CMg6 pentagonal pyramids that share corners with four equivalent Mg(4)Ca4Mg8 cuboctahedra, edges with two equivalent Mg(4)Ca4Mg8 cuboctahedra, and edges with two equivalent C(1)Mg6 pentagonal pyramids. is represented by the CIF card [CIF]
data_CaMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.759
_cell_length_b   9.759
_cell_length_c   3.313
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.973
_symmetry_Int_Tables_number   1
_cell_volume   185.567
_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  0.210  0.790  0.000  1.0
  Mg  Mg1  1  0.180  0.366  0.000  1.0
  Mg  Mg2  1  0.634  0.820  0.000  1.0
  Mg  Mg3  1  0.656  0.344  0.000  1.0
  Mg  Mg4  1  0.293  0.212  0.500  1.0
  Mg  Mg5  1  0.788  0.707  0.500  1.0
  Mg  Mg6  1  0.793  0.207  0.500  1.0
  C  C7  1  0.445  0.555  0.500  1.0
[/CIF]
.