The material structure described by Sr2MgTiFeO6 crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one Fe(1), three equivalent O(1), and six equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) atoms. Ti(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. Fe(1) is bonded in a distorted trigonal planar geometry to one Sr(1) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ti(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), and one Ti(1) atom. is represented by the CIF card [CIF]
data_Sr2MgTiFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.243
_cell_length_c   6.246
_cell_angle_alpha   56.145
_cell_angle_beta   56.168
_cell_angle_gamma   56.179
_symmetry_Int_Tables_number   1
_cell_volume   156.725
_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  0.279  0.279  0.279  1.0
  Sr  Sr1  1  0.701  0.701  0.700  1.0
  Mg  Mg2  1  0.924  0.924  0.924  1.0
  Ti  Ti3  1  0.492  0.492  0.492  1.0
  Fe  Fe4  1  0.087  0.087  0.087  1.0
  O  O5  1  0.706  0.248  0.248  1.0
  O  O6  1  0.714  0.256  0.714  1.0
  O  O7  1  0.714  0.714  0.256  1.0
  O  O8  1  0.256  0.714  0.714  1.0
  O  O9  1  0.248  0.706  0.248  1.0
  O  O10  1  0.248  0.248  0.706  1.0
[/CIF]
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The material structure described by Sr2MgTiFeO6 crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one Fe(1), three equivalent O(1), and six equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) atoms. Ti(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. Fe(1) is bonded in a distorted trigonal planar geometry to one Sr(1) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ti(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), and one Ti(1) atom. is represented by the CIF card [CIF]
data_Sr2MgTiFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.243
_cell_length_c   6.246
_cell_angle_alpha   56.145
_cell_angle_beta   56.168
_cell_angle_gamma   56.179
_symmetry_Int_Tables_number   1
_cell_volume   156.725
_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  0.279  0.279  0.279  1.0
  Sr  Sr1  1  0.701  0.701  0.700  1.0
  Mg  Mg2  1  0.924  0.924  0.924  1.0
  Ti  Ti3  1  0.492  0.492  0.492  1.0
  Fe  Fe4  1  0.087  0.087  0.087  1.0
  O  O5  1  0.706  0.248  0.248  1.0
  O  O6  1  0.714  0.256  0.714  1.0
  O  O7  1  0.714  0.714  0.256  1.0
  O  O8  1  0.256  0.714  0.714  1.0
  O  O9  1  0.248  0.706  0.248  1.0
  O  O10  1  0.248  0.248  0.706  1.0
[/CIF]
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