The structure described by Ca5Mg crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), two equivalent Ca(4), and four equivalent Ca(5) atoms to form CaCa12 cuboctahedra that share corners with six equivalent Ca(3)Ca10Mg2 cuboctahedra, corners with six equivalent Ca(1)Ca12 cuboctahedra, corners with six equivalent Ca(2)Ca8Mg4 cuboctahedra, edges with three equivalent Ca(3)Ca10Mg2 cuboctahedra, edges with three equivalent Ca(2)Ca8Mg4 cuboctahedra, faces with two equivalent Ca(3)Ca10Mg2 cuboctahedra, faces with two equivalent Ca(2)Ca8Mg4 cuboctahedra, and faces with four equivalent Ca(1)Ca12 cuboctahedra. In the second Ca site, Ca(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), two equivalent Ca(5), and four equivalent Mg(1) atoms to form distorted CaCa8Mg4 cuboctahedra that share corners with six equivalent Ca(3)Ca10Mg2 cuboctahedra, corners with six equivalent Ca(1)Ca12 cuboctahedra, corners with six equivalent Ca(2)Ca8Mg4 cuboctahedra, edges with three equivalent Ca(3)Ca10Mg2 cuboctahedra, edges with three equivalent Ca(1)Ca12 cuboctahedra, faces with two equivalent Ca(3)Ca10Mg2 cuboctahedra, faces with two equivalent Ca(1)Ca12 cuboctahedra, and faces with four equivalent Ca(2)Ca8Mg4 cuboctahedra. In the third Ca site, Ca(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), four equivalent Ca(4), and two equivalent Mg(1) atoms to form distorted CaCa10Mg2 cuboctahedra that share corners with six equivalent Ca(3)Ca10Mg2 cuboctahedra, corners with six equivalent Ca(1)Ca12 cuboctahedra, corners with six equivalent Ca(2)Ca8Mg4 cuboctahedra, edges with three equivalent Ca(1)Ca12 cuboctahedra, edges with three equivalent Ca(2)Ca8Mg4 cuboctahedra, faces with two equivalent Ca(1)Ca12 cuboctahedra, faces with two equivalent Ca(2)Ca8Mg4 cuboctahedra, and faces with four equivalent Ca(3)Ca10Mg2 cuboctahedra. In the fourth Ca site, Ca(4) is bonded in a 2-coordinate geometry to two equivalent Ca(1), four equivalent Ca(3), and two equivalent Mg(1) atoms. In the fifth Ca site, Ca(5) is bonded in a 2-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), and two equivalent Mg(1) atoms. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ca(3), two equivalent Ca(4), two equivalent Ca(5), and four equivalent Ca(2) atoms. is represented by the CIF card [CIF]
data_Ca5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.905
_cell_length_b   9.905
_cell_length_c   6.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.018
_symmetry_Int_Tables_number   1
_cell_volume   236.997
_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  0.998  0.002  0.000  1.0
  Ca  Ca1  1  0.326  0.674  0.000  1.0
  Ca  Ca2  1  0.666  0.334  0.000  1.0
  Ca  Ca3  1  0.125  0.875  0.500  1.0
  Ca  Ca4  1  0.439  0.561  0.500  1.0
  Mg  Mg5  1  0.780  0.220  0.500  1.0
[/CIF]
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The structure described by Ca5Mg crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), two equivalent Ca(4), and four equivalent Ca(5) atoms to form CaCa12 cuboctahedra that share corners with six equivalent Ca(3)Ca10Mg2 cuboctahedra, corners with six equivalent Ca(1)Ca12 cuboctahedra, corners with six equivalent Ca(2)Ca8Mg4 cuboctahedra, edges with three equivalent Ca(3)Ca10Mg2 cuboctahedra, edges with three equivalent Ca(2)Ca8Mg4 cuboctahedra, faces with two equivalent Ca(3)Ca10Mg2 cuboctahedra, faces with two equivalent Ca(2)Ca8Mg4 cuboctahedra, and faces with four equivalent Ca(1)Ca12 cuboctahedra. In the second Ca site, Ca(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), two equivalent Ca(5), and four equivalent Mg(1) atoms to form distorted CaCa8Mg4 cuboctahedra that share corners with six equivalent Ca(3)Ca10Mg2 cuboctahedra, corners with six equivalent Ca(1)Ca12 cuboctahedra, corners with six equivalent Ca(2)Ca8Mg4 cuboctahedra, edges with three equivalent Ca(3)Ca10Mg2 cuboctahedra, edges with three equivalent Ca(1)Ca12 cuboctahedra, faces with two equivalent Ca(3)Ca10Mg2 cuboctahedra, faces with two equivalent Ca(1)Ca12 cuboctahedra, and faces with four equivalent Ca(2)Ca8Mg4 cuboctahedra. In the third Ca site, Ca(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), four equivalent Ca(4), and two equivalent Mg(1) atoms to form distorted CaCa10Mg2 cuboctahedra that share corners with six equivalent Ca(3)Ca10Mg2 cuboctahedra, corners with six equivalent Ca(1)Ca12 cuboctahedra, corners with six equivalent Ca(2)Ca8Mg4 cuboctahedra, edges with three equivalent Ca(1)Ca12 cuboctahedra, edges with three equivalent Ca(2)Ca8Mg4 cuboctahedra, faces with two equivalent Ca(1)Ca12 cuboctahedra, faces with two equivalent Ca(2)Ca8Mg4 cuboctahedra, and faces with four equivalent Ca(3)Ca10Mg2 cuboctahedra. In the fourth Ca site, Ca(4) is bonded in a 2-coordinate geometry to two equivalent Ca(1), four equivalent Ca(3), and two equivalent Mg(1) atoms. In the fifth Ca site, Ca(5) is bonded in a 2-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), and two equivalent Mg(1) atoms. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ca(3), two equivalent Ca(4), two equivalent Ca(5), and four equivalent Ca(2) atoms. is represented by the CIF card [CIF]
data_Ca5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.905
_cell_length_b   9.905
_cell_length_c   6.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.018
_symmetry_Int_Tables_number   1
_cell_volume   236.997
_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  0.998  0.002  0.000  1.0
  Ca  Ca1  1  0.326  0.674  0.000  1.0
  Ca  Ca2  1  0.666  0.334  0.000  1.0
  Ca  Ca3  1  0.125  0.875  0.500  1.0
  Ca  Ca4  1  0.439  0.561  0.500  1.0
  Mg  Mg5  1  0.780  0.220  0.500  1.0
[/CIF]
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