The material structure described by CaMg5 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Ca(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), and four equivalent Mg(2) atoms to form distorted CaCa2Mg10 cuboctahedra that share corners with six equivalent Ca(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(5)Ca2Mg10 cuboctahedra, edges with three equivalent Mg(4)Ca2Mg10 cuboctahedra, edges with three equivalent Mg(5)Ca2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(5)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Ca(1)Ca2Mg10 cuboctahedra. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(5)Ca2Mg10 cuboctahedra, edges with eight equivalent Ca(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(5)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Mg12 cuboctahedra, and faces with six equivalent Mg(4)Ca2Mg10 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent Ca(1), two equivalent Mg(1), and two equivalent Mg(5) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), and four equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(4), two equivalent Mg(5), and four equivalent Mg(3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with six equivalent Ca(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(5)Ca2Mg10 cuboctahedra, edges with three equivalent Ca(1)Ca2Mg10 cuboctahedra, edges with three equivalent Mg(5)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(5)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(4)Ca2Mg10 cuboctahedra, and faces with six equivalent Mg(1)Mg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded to two equivalent Ca(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and four equivalent Mg(1) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with six equivalent Ca(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(5)Ca2Mg10 cuboctahedra, edges with three equivalent Ca(1)Ca2Mg10 cuboctahedra, edges with three equivalent Mg(4)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ca(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(5)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Mg12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.419
_cell_length_b   5.259
_cell_length_c   8.809
_cell_angle_alpha   90.000
_cell_angle_beta   101.188
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.377
_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  0.779  0.000  0.559  1.0
  Mg  Mg1  1  0.998  0.500  0.996  1.0
  Mg  Mg2  1  0.340  0.500  0.680  1.0
  Mg  Mg3  1  0.662  0.500  0.324  1.0
  Mg  Mg4  1  0.105  0.000  0.209  1.0
  Mg  Mg5  1  0.449  0.000  0.898  1.0
[/CIF]
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The material structure described by CaMg5 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Ca(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), and four equivalent Mg(2) atoms to form distorted CaCa2Mg10 cuboctahedra that share corners with six equivalent Ca(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(5)Ca2Mg10 cuboctahedra, edges with three equivalent Mg(4)Ca2Mg10 cuboctahedra, edges with three equivalent Mg(5)Ca2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(5)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Ca(1)Ca2Mg10 cuboctahedra. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(5)Ca2Mg10 cuboctahedra, edges with eight equivalent Ca(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(5)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Mg12 cuboctahedra, and faces with six equivalent Mg(4)Ca2Mg10 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent Ca(1), two equivalent Mg(1), and two equivalent Mg(5) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), and four equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(4), two equivalent Mg(5), and four equivalent Mg(3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with six equivalent Ca(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(5)Ca2Mg10 cuboctahedra, edges with three equivalent Ca(1)Ca2Mg10 cuboctahedra, edges with three equivalent Mg(5)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(5)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(4)Ca2Mg10 cuboctahedra, and faces with six equivalent Mg(1)Mg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded to two equivalent Ca(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and four equivalent Mg(1) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with six equivalent Ca(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(5)Ca2Mg10 cuboctahedra, edges with three equivalent Ca(1)Ca2Mg10 cuboctahedra, edges with three equivalent Mg(4)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ca(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(5)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Mg12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.419
_cell_length_b   5.259
_cell_length_c   8.809
_cell_angle_alpha   90.000
_cell_angle_beta   101.188
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.377
_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  0.779  0.000  0.559  1.0
  Mg  Mg1  1  0.998  0.500  0.996  1.0
  Mg  Mg2  1  0.340  0.500  0.680  1.0
  Mg  Mg3  1  0.662  0.500  0.324  1.0
  Mg  Mg4  1  0.105  0.000  0.209  1.0
  Mg  Mg5  1  0.449  0.000  0.898  1.0
[/CIF]
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