The structure described by Sr2MgMoO4 crystallizes in the tetragonal I-4m2 space group. There are two 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. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four Sr(1,1) and two equivalent Mo(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Mo2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 7-coordinate geometry to four equivalent Sr(1), two equivalent Mg(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Sr2MgMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.119
_cell_length_b   4.119
_cell_length_c   8.630
_cell_angle_alpha   103.808
_cell_angle_beta   103.808
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.831
_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  0.399  0.399  0.798  1.0
  Sr  Sr1  1  0.601  0.601  0.202  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.001  0.501  0.002  1.0
  O  O5  1  0.499  0.999  0.998  1.0
  O  O6  1  0.860  0.860  0.721  1.0
  O  O7  1  0.140  0.140  0.279  1.0
[/CIF]
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The structure described by Sr2MgMoO4 crystallizes in the tetragonal I-4m2 space group. There are two 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. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four Sr(1,1) and two equivalent Mo(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Mo2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 7-coordinate geometry to four equivalent Sr(1), two equivalent Mg(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Sr2MgMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.119
_cell_length_b   4.119
_cell_length_c   8.630
_cell_angle_alpha   103.808
_cell_angle_beta   103.808
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.831
_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  0.399  0.399  0.798  1.0
  Sr  Sr1  1  0.601  0.601  0.202  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.001  0.501  0.002  1.0
  O  O5  1  0.499  0.999  0.998  1.0
  O  O6  1  0.860  0.860  0.721  1.0
  O  O7  1  0.140  0.140  0.279  1.0
[/CIF]
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