The material described by Mg6BSi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a water-like geometry to two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Si(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted square co-planar geometry to two equivalent B(1) and two equivalent Si(1) 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. Si(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg6SiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.107
_cell_length_b   6.107
_cell_length_c   4.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.591
_symmetry_Int_Tables_number   1
_cell_volume   151.879
_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
  Mg  Mg0  1  0.610  0.886  0.000  1.0
  Mg  Mg1  1  0.114  0.390  0.000  1.0
  Mg  Mg2  1  0.942  0.707  0.500  1.0
  Mg  Mg3  1  0.293  0.058  0.500  1.0
  Mg  Mg4  1  0.807  0.193  0.500  1.0
  Mg  Mg5  1  0.406  0.594  0.500  1.0
  Si  Si6  1  0.613  0.387  0.000  1.0
  B  B7  1  0.215  0.785  0.000  1.0
[/CIF]
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The material described by Mg6BSi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a water-like geometry to two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Si(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted square co-planar geometry to two equivalent B(1) and two equivalent Si(1) 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. Si(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg6SiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.107
_cell_length_b   6.107
_cell_length_c   4.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.591
_symmetry_Int_Tables_number   1
_cell_volume   151.879
_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
  Mg  Mg0  1  0.610  0.886  0.000  1.0
  Mg  Mg1  1  0.114  0.390  0.000  1.0
  Mg  Mg2  1  0.942  0.707  0.500  1.0
  Mg  Mg3  1  0.293  0.058  0.500  1.0
  Mg  Mg4  1  0.807  0.193  0.500  1.0
  Mg  Mg5  1  0.406  0.594  0.500  1.0
  Si  Si6  1  0.613  0.387  0.000  1.0
  B  B7  1  0.215  0.785  0.000  1.0
[/CIF]
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