The material described by Sr5Mg crystallizes in the monoclinic Cm space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to two equivalent Sr(4), three equivalent Sr(5), and two equivalent Mg(1) atoms. In the second Sr site, Sr(2) is bonded in a 2-coordinate geometry to one Sr(5), two equivalent Sr(4), and two equivalent Mg(1) atoms. In the third Sr site, Sr(3) is bonded in a 2-coordinate geometry to two equivalent Sr(4), two equivalent Sr(5), and two equivalent Mg(1) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(3), and two equivalent Sr(5) atoms. In the fifth Sr site, Sr(5) is bonded to one Sr(2), two equivalent Sr(3), two equivalent Sr(4), two equivalent Sr(5), three equivalent Sr(1), and two equivalent Mg(1) atoms to form a mixture of distorted corner and face-sharing SrSr10Mg2 cuboctahedra. Mg(1) is bonded in a distorted body-centered cubic geometry to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(3), and two equivalent Sr(5) atoms. is represented by the CIF file [CIF]
data_Sr5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.818
_cell_length_b   7.818
_cell_length_c   9.219
_cell_angle_alpha   74.749
_cell_angle_beta   74.749
_cell_angle_gamma   32.739
_symmetry_Int_Tables_number   1
_cell_volume   293.059
_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  0.004  0.004  0.063  1.0
  Sr  Sr1  1  0.292  0.292  0.354  1.0
  Sr  Sr2  1  0.967  0.967  0.540  1.0
  Sr  Sr3  1  0.646  0.646  0.698  1.0
  Sr  Sr4  1  0.295  0.295  0.927  1.0
  Mg  Mg5  1  0.629  0.629  0.251  1.0
[/CIF]
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The material described by Sr5Mg crystallizes in the monoclinic Cm space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to two equivalent Sr(4), three equivalent Sr(5), and two equivalent Mg(1) atoms. In the second Sr site, Sr(2) is bonded in a 2-coordinate geometry to one Sr(5), two equivalent Sr(4), and two equivalent Mg(1) atoms. In the third Sr site, Sr(3) is bonded in a 2-coordinate geometry to two equivalent Sr(4), two equivalent Sr(5), and two equivalent Mg(1) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(3), and two equivalent Sr(5) atoms. In the fifth Sr site, Sr(5) is bonded to one Sr(2), two equivalent Sr(3), two equivalent Sr(4), two equivalent Sr(5), three equivalent Sr(1), and two equivalent Mg(1) atoms to form a mixture of distorted corner and face-sharing SrSr10Mg2 cuboctahedra. Mg(1) is bonded in a distorted body-centered cubic geometry to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(3), and two equivalent Sr(5) atoms. is represented by the CIF file [CIF]
data_Sr5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.818
_cell_length_b   7.818
_cell_length_c   9.219
_cell_angle_alpha   74.749
_cell_angle_beta   74.749
_cell_angle_gamma   32.739
_symmetry_Int_Tables_number   1
_cell_volume   293.059
_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  0.004  0.004  0.063  1.0
  Sr  Sr1  1  0.292  0.292  0.354  1.0
  Sr  Sr2  1  0.967  0.967  0.540  1.0
  Sr  Sr3  1  0.646  0.646  0.698  1.0
  Sr  Sr4  1  0.295  0.295  0.927  1.0
  Mg  Mg5  1  0.629  0.629  0.251  1.0
[/CIF]
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