The material described by SrMg6Fe crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms to form a mixture of face and corner-sharing SrMg10Fe2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Fe(1) atom. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_SrMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.735
_cell_length_b   6.735
_cell_length_c   5.127
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.564
_symmetry_Int_Tables_number   1
_cell_volume   193.822
_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  0.324  0.676  0.500  1.0
  Mg  Mg1  1  0.316  0.171  0.500  1.0
  Mg  Mg2  1  0.829  0.684  0.500  1.0
  Mg  Mg3  1  0.149  0.313  0.000  1.0
  Mg  Mg4  1  0.687  0.851  0.000  1.0
  Mg  Mg5  1  0.680  0.320  0.000  1.0
  Mg  Mg6  1  0.151  0.849  0.000  1.0
  Fe  Fe7  1  0.863  0.137  0.500  1.0
[/CIF]
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The material described by SrMg6Fe crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms to form a mixture of face and corner-sharing SrMg10Fe2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Fe(1) atom. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. is represented by the CIF card [CIF]
data_SrMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.735
_cell_length_b   6.735
_cell_length_c   5.127
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.564
_symmetry_Int_Tables_number   1
_cell_volume   193.822
_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  0.324  0.676  0.500  1.0
  Mg  Mg1  1  0.316  0.171  0.500  1.0
  Mg  Mg2  1  0.829  0.684  0.500  1.0
  Mg  Mg3  1  0.149  0.313  0.000  1.0
  Mg  Mg4  1  0.687  0.851  0.000  1.0
  Mg  Mg5  1  0.680  0.320  0.000  1.0
  Mg  Mg6  1  0.151  0.849  0.000  1.0
  Fe  Fe7  1  0.863  0.137  0.500  1.0
[/CIF]
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