The crystal structure described by Mg6CoB crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one B(1) atom. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Co(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted bent 120 degrees geometry to two equivalent B(1) atoms. Co(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6CoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.494
_cell_length_b   5.915
_cell_length_c   5.915
_cell_angle_alpha   116.385
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.850
_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  0.000  0.689  0.311  1.0
  Co  Co1  1  0.000  0.162  0.838  1.0
  Mg  Mg2  1  0.000  0.155  0.342  1.0
  Mg  Mg3  1  0.000  0.658  0.845  1.0
  Mg  Mg4  1  0.500  0.345  0.160  1.0
  Mg  Mg5  1  0.500  0.840  0.655  1.0
  Mg  Mg6  1  0.500  0.324  0.676  1.0
  Mg  Mg7  1  0.500  0.827  0.173  1.0
[/CIF]
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The crystal structure described by Mg6CoB crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one B(1) atom. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Co(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted bent 120 degrees geometry to two equivalent B(1) atoms. Co(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6CoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.494
_cell_length_b   5.915
_cell_length_c   5.915
_cell_angle_alpha   116.385
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.850
_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  0.000  0.689  0.311  1.0
  Co  Co1  1  0.000  0.162  0.838  1.0
  Mg  Mg2  1  0.000  0.155  0.342  1.0
  Mg  Mg3  1  0.000  0.658  0.845  1.0
  Mg  Mg4  1  0.500  0.345  0.160  1.0
  Mg  Mg5  1  0.500  0.840  0.655  1.0
  Mg  Mg6  1  0.500  0.324  0.676  1.0
  Mg  Mg7  1  0.500  0.827  0.173  1.0
[/CIF]
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