The material structure described by CaMg6Sn 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 Sn(1) atoms to form CaMg10Sn2 cuboctahedra that share corners with four equivalent Sn(1)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, edges with two equivalent Sn(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Sn(1) atoms to form MgCa2Mg8Sn2 cuboctahedra that share corners with four equivalent Ca(1)Mg10Sn2 cuboctahedra, corners with four equivalent Sn(1)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Sn2 cuboctahedra, edges with two equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, edges with two equivalent Sn(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(3), and two equivalent Sn(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), and two equivalent Sn(1) atoms. Sn(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form SnCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg10Sn2 cuboctahedra, corners with six equivalent Sn(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra. is represented by the CIF card [CIF]
data_CaMg6Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   6.406
_cell_length_c   6.732
_cell_angle_alpha   118.414
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.523
_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  0.169  0.339  1.0
  Mg  Mg1  1  0.500  0.666  0.835  1.0
  Mg  Mg2  1  0.500  0.168  0.835  1.0
  Mg  Mg3  1  0.000  0.826  0.158  1.0
  Mg  Mg4  1  0.000  0.331  0.158  1.0
  Mg  Mg5  1  0.000  0.337  0.675  1.0
  Mg  Mg6  1  0.000  0.835  0.671  1.0
  Sn  Sn7  1  0.500  0.665  0.331  1.0
[/CIF]
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The material structure described by CaMg6Sn 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 Sn(1) atoms to form CaMg10Sn2 cuboctahedra that share corners with four equivalent Sn(1)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, edges with two equivalent Sn(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Sn(1) atoms to form MgCa2Mg8Sn2 cuboctahedra that share corners with four equivalent Ca(1)Mg10Sn2 cuboctahedra, corners with four equivalent Sn(1)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Sn2 cuboctahedra, edges with two equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, edges with two equivalent Sn(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(3), and two equivalent Sn(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), and two equivalent Sn(1) atoms. Sn(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form SnCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg10Sn2 cuboctahedra, corners with six equivalent Sn(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ca2Mg8Sn2 cuboctahedra. is represented by the CIF card [CIF]
data_CaMg6Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   6.406
_cell_length_c   6.732
_cell_angle_alpha   118.414
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.523
_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  0.169  0.339  1.0
  Mg  Mg1  1  0.500  0.666  0.835  1.0
  Mg  Mg2  1  0.500  0.168  0.835  1.0
  Mg  Mg3  1  0.000  0.826  0.158  1.0
  Mg  Mg4  1  0.000  0.331  0.158  1.0
  Mg  Mg5  1  0.000  0.337  0.675  1.0
  Mg  Mg6  1  0.000  0.835  0.671  1.0
  Sn  Sn7  1  0.500  0.665  0.331  1.0
[/CIF]
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