The structure described by SrMg6B crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), four equivalent Mg(2), four equivalent Mg(4), and two equivalent B(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to two equivalent Mg(3), two equivalent Mg(4), and one B(1) atom. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Mg(3), one Mg(4), and two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to four equivalent Sr(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), and four equivalent Mg(2) atoms. is represented by the CIF file [CIF]
data_SrMg6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.607
_cell_length_b   7.607
_cell_length_c   4.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.519
_symmetry_Int_Tables_number   1
_cell_volume   192.477
_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
  Sr  Sr0  1  0.799  0.201  0.500  1.0
  Mg  Mg1  1  0.301  0.192  0.500  1.0
  Mg  Mg2  1  0.808  0.699  0.500  1.0
  Mg  Mg3  1  0.187  0.348  0.000  1.0
  Mg  Mg4  1  0.652  0.813  0.000  1.0
  Mg  Mg5  1  0.632  0.368  0.000  1.0
  Mg  Mg6  1  0.203  0.797  0.000  1.0
  B  B7  1  0.418  0.582  0.500  1.0
[/CIF]
.
The structure described by SrMg6B crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), four equivalent Mg(2), four equivalent Mg(4), and two equivalent B(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to two equivalent Mg(3), two equivalent Mg(4), and one B(1) atom. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Mg(3), one Mg(4), and two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to four equivalent Sr(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), and four equivalent Mg(2) atoms. is represented by the CIF file [CIF]
data_SrMg6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.607
_cell_length_b   7.607
_cell_length_c   4.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.519
_symmetry_Int_Tables_number   1
_cell_volume   192.477
_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
  Sr  Sr0  1  0.799  0.201  0.500  1.0
  Mg  Mg1  1  0.301  0.192  0.500  1.0
  Mg  Mg2  1  0.808  0.699  0.500  1.0
  Mg  Mg3  1  0.187  0.348  0.000  1.0
  Mg  Mg4  1  0.652  0.813  0.000  1.0
  Mg  Mg5  1  0.632  0.368  0.000  1.0
  Mg  Mg6  1  0.203  0.797  0.000  1.0
  B  B7  1  0.418  0.582  0.500  1.0
[/CIF]
.