The crystal structure described by Sr2MgCrO4 crystallizes in the tetragonal I-4m2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the third Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Cr(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Sr(1) and two equivalent Mg(1) atoms. In the second O site, O(2) is bonded to four Sr(1,1) and two equivalent Cr(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles are 6°. is represented by the CIF file [CIF]
data_Sr2MgCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.890
_cell_length_b   3.890
_cell_length_c   8.459
_cell_angle_alpha   103.293
_cell_angle_beta   103.293
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.021
_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  0.607  0.607  0.215  1.0
  Sr  Sr1  1  0.393  0.393  0.785  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.808  0.808  0.617  1.0
  O  O5  1  0.192  0.192  0.383  1.0
  O  O6  1  0.006  0.506  0.013  1.0
  O  O7  1  0.494  0.994  0.987  1.0
[/CIF]
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The crystal structure described by Sr2MgCrO4 crystallizes in the tetragonal I-4m2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the third Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Cr(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Sr(1) and two equivalent Mg(1) atoms. In the second O site, O(2) is bonded to four Sr(1,1) and two equivalent Cr(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles are 6°. is represented by the CIF file [CIF]
data_Sr2MgCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.890
_cell_length_b   3.890
_cell_length_c   8.459
_cell_angle_alpha   103.293
_cell_angle_beta   103.293
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.021
_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  0.607  0.607  0.215  1.0
  Sr  Sr1  1  0.393  0.393  0.785  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.808  0.808  0.617  1.0
  O  O5  1  0.192  0.192  0.383  1.0
  O  O6  1  0.006  0.506  0.013  1.0
  O  O7  1  0.494  0.994  0.987  1.0
[/CIF]
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