The compound described by SrMg14B crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent B(1) atoms. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form corner-sharing MgMg12 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), four equivalent Mg(4), and four equivalent Mg(5) atoms. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Mg(5), two equivalent Mg(6), and one B(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(6) atoms. In the fifth Mg site, Mg(5) is bonded in a 10-coordinate geometry to one Sr(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(7), two equivalent Mg(5), and two equivalent Mg(6) atoms. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Sr(1), one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and four equivalent Mg(5) atoms. In the seventh Mg site, Mg(7) is bonded in a single-bond geometry to two equivalent Mg(5), two equivalent Mg(6), and one B(1) atom. B(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Mg(3), and two equivalent Mg(7) atoms. is represented by the CIF card [CIF]
data_SrMg14B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.598
_cell_length_b   6.202
_cell_length_c   10.411
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.034
_symmetry_Int_Tables_number   1
_cell_volume   376.064
_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  0.109  0.304  0.125  1.0
  Mg  Mg1  1  0.168  0.334  0.625  1.0
  Mg  Mg2  1  0.150  0.825  0.625  1.0
  Mg  Mg3  1  0.580  0.269  0.125  1.0
  Mg  Mg4  1  0.661  0.337  0.625  1.0
  Mg  Mg5  1  0.580  0.812  0.125  1.0
  Mg  Mg6  1  0.661  0.823  0.625  1.0
  Mg  Mg7  1  0.346  0.172  0.384  1.0
  Mg  Mg8  1  0.346  0.172  0.866  1.0
  Mg  Mg9  1  0.346  0.675  0.384  1.0
  Mg  Mg10  1  0.346  0.675  0.866  1.0
  Mg  Mg11  1  0.829  0.164  0.394  1.0
  Mg  Mg12  1  0.829  0.164  0.856  1.0
  Mg  Mg13  1  0.907  0.704  0.296  1.0
  Mg  Mg14  1  0.907  0.704  0.954  1.0
  B  B15  1  0.233  0.866  0.125  1.0
[/CIF]
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The compound described by SrMg14B crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent B(1) atoms. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form corner-sharing MgMg12 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), four equivalent Mg(4), and four equivalent Mg(5) atoms. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Mg(5), two equivalent Mg(6), and one B(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(6) atoms. In the fifth Mg site, Mg(5) is bonded in a 10-coordinate geometry to one Sr(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(7), two equivalent Mg(5), and two equivalent Mg(6) atoms. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Sr(1), one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and four equivalent Mg(5) atoms. In the seventh Mg site, Mg(7) is bonded in a single-bond geometry to two equivalent Mg(5), two equivalent Mg(6), and one B(1) atom. B(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Mg(3), and two equivalent Mg(7) atoms. is represented by the CIF card [CIF]
data_SrMg14B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.598
_cell_length_b   6.202
_cell_length_c   10.411
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.034
_symmetry_Int_Tables_number   1
_cell_volume   376.064
_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  0.109  0.304  0.125  1.0
  Mg  Mg1  1  0.168  0.334  0.625  1.0
  Mg  Mg2  1  0.150  0.825  0.625  1.0
  Mg  Mg3  1  0.580  0.269  0.125  1.0
  Mg  Mg4  1  0.661  0.337  0.625  1.0
  Mg  Mg5  1  0.580  0.812  0.125  1.0
  Mg  Mg6  1  0.661  0.823  0.625  1.0
  Mg  Mg7  1  0.346  0.172  0.384  1.0
  Mg  Mg8  1  0.346  0.172  0.866  1.0
  Mg  Mg9  1  0.346  0.675  0.384  1.0
  Mg  Mg10  1  0.346  0.675  0.866  1.0
  Mg  Mg11  1  0.829  0.164  0.394  1.0
  Mg  Mg12  1  0.829  0.164  0.856  1.0
  Mg  Mg13  1  0.907  0.704  0.296  1.0
  Mg  Mg14  1  0.907  0.704  0.954  1.0
  B  B15  1  0.233  0.866  0.125  1.0
[/CIF]
.