The material structure described by CsMg6Y is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form distorted CsY2Mg10 cuboctahedra that share corners with six equivalent Cs(1)Y2Mg10 cuboctahedra, edges with four equivalent Y(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)Y2Mg10 cuboctahedra, faces with two equivalent Y(1)Cs2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Y2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Y(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form distorted MgY2Mg10 cuboctahedra that share corners with four equivalent Y(1)Cs2Mg10 cuboctahedra, corners with six equivalent Mg(2)Y2Mg10 cuboctahedra, edges with two equivalent Y(1)Cs2Mg10 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with two equivalent Y(1)Cs2Mg10 cuboctahedra, and faces with six equivalent Cs(1)Y2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Y(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. Y(1) is bonded to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form YCs2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Y2Mg10 cuboctahedra, corners with six equivalent Y(1)Cs2Mg10 cuboctahedra, edges with two equivalent Mg(2)Y2Mg10 cuboctahedra, edges with four equivalent Cs(1)Y2Mg10 cuboctahedra, faces with two equivalent Cs(1)Y2Mg10 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, and faces with two equivalent Y(1)Cs2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_CsYMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.458
_cell_length_b   6.947
_cell_length_c   6.947
_cell_angle_alpha   117.667
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.281
_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
  Cs  Cs0  1  0.500  0.353  0.647  1.0
  Mg  Mg1  1  0.000  0.696  0.869  1.0
  Mg  Mg2  1  1.000  0.131  0.304  1.0
  Mg  Mg3  1  0.000  0.657  0.343  1.0
  Mg  Mg4  1  0.500  0.854  0.676  1.0
  Mg  Mg5  1  0.500  0.324  0.146  1.0
  Mg  Mg6  1  0.500  0.831  0.169  1.0
  Y  Y7  1  0.000  0.153  0.847  1.0
[/CIF]
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The material structure described by CsMg6Y is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form distorted CsY2Mg10 cuboctahedra that share corners with six equivalent Cs(1)Y2Mg10 cuboctahedra, edges with four equivalent Y(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)Y2Mg10 cuboctahedra, faces with two equivalent Y(1)Cs2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Y2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Y(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Y(1) atoms to form distorted MgY2Mg10 cuboctahedra that share corners with four equivalent Y(1)Cs2Mg10 cuboctahedra, corners with six equivalent Mg(2)Y2Mg10 cuboctahedra, edges with two equivalent Y(1)Cs2Mg10 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, faces with two equivalent Y(1)Cs2Mg10 cuboctahedra, and faces with six equivalent Cs(1)Y2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Y(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. Y(1) is bonded to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form YCs2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Y2Mg10 cuboctahedra, corners with six equivalent Y(1)Cs2Mg10 cuboctahedra, edges with two equivalent Mg(2)Y2Mg10 cuboctahedra, edges with four equivalent Cs(1)Y2Mg10 cuboctahedra, faces with two equivalent Cs(1)Y2Mg10 cuboctahedra, faces with two equivalent Mg(2)Y2Mg10 cuboctahedra, and faces with two equivalent Y(1)Cs2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_CsYMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.458
_cell_length_b   6.947
_cell_length_c   6.947
_cell_angle_alpha   117.667
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.281
_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
  Cs  Cs0  1  0.500  0.353  0.647  1.0
  Mg  Mg1  1  0.000  0.696  0.869  1.0
  Mg  Mg2  1  1.000  0.131  0.304  1.0
  Mg  Mg3  1  0.000  0.657  0.343  1.0
  Mg  Mg4  1  0.500  0.854  0.676  1.0
  Mg  Mg5  1  0.500  0.324  0.146  1.0
  Mg  Mg6  1  0.500  0.831  0.169  1.0
  Y  Y7  1  0.000  0.153  0.847  1.0
[/CIF]
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