The material described by Mg6CdB crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), two equivalent Cd(1), and two equivalent B(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cd(1) atoms. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), two equivalent Cd(1), and one B(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. Cd(1) is bonded in a distorted q6 geometry to two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. B(1) is bonded in a distorted hexagonal planar geometry to two equivalent Mg(3) and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg6CdB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.806
_cell_length_b   6.142
_cell_length_c   6.324
_cell_angle_alpha   119.055
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.197
_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
  B  B0  1  0.500  0.596  0.191  1.0
  Cd  Cd1  1  0.000  0.852  0.703  1.0
  Mg  Mg2  1  0.000  0.375  0.204  1.0
  Mg  Mg3  1  1.000  0.829  0.204  1.0
  Mg  Mg4  1  0.000  0.337  0.675  1.0
  Mg  Mg5  1  0.500  0.173  0.844  1.0
  Mg  Mg6  1  0.500  0.671  0.844  1.0
  Mg  Mg7  1  0.500  0.167  0.334  1.0
[/CIF]
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The material described by Mg6CdB crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), two equivalent Cd(1), and two equivalent B(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cd(1) atoms. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), two equivalent Cd(1), and one B(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. Cd(1) is bonded in a distorted q6 geometry to two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. B(1) is bonded in a distorted hexagonal planar geometry to two equivalent Mg(3) and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg6CdB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.806
_cell_length_b   6.142
_cell_length_c   6.324
_cell_angle_alpha   119.055
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.197
_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
  B  B0  1  0.500  0.596  0.191  1.0
  Cd  Cd1  1  0.000  0.852  0.703  1.0
  Mg  Mg2  1  0.000  0.375  0.204  1.0
  Mg  Mg3  1  1.000  0.829  0.204  1.0
  Mg  Mg4  1  0.000  0.337  0.675  1.0
  Mg  Mg5  1  0.500  0.173  0.844  1.0
  Mg  Mg6  1  0.500  0.671  0.844  1.0
  Mg  Mg7  1  0.500  0.167  0.334  1.0
[/CIF]
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