The material structure described by Sr2MgVO4 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 11-coordinate geometry to two equivalent Mg(1), four equivalent O(2), and five equivalent O(1) atoms. In the second Sr site, Sr(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), four equivalent O(2), and five equivalent O(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1) and four equivalent O(1) atoms. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to five equivalent Sr(1), two equivalent Mg(1), and one V(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent V(1) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4V2 octahedra. The corner-sharing octahedral tilt angles are 8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.069
_cell_length_b   4.069
_cell_length_c   7.616
_cell_angle_alpha   105.493
_cell_angle_beta   105.492
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.723
_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  0.610  0.610  0.220  1.0
  Sr  Sr1  1  0.390  0.390  0.780  1.0
  Mg  Mg2  1  0.750  0.250  0.500  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.808  0.808  0.615  1.0
  O  O5  1  0.192  0.192  0.385  1.0
  O  O6  1  0.510  0.010  0.019  1.0
  O  O7  1  0.990  0.490  0.981  1.0
[/CIF]
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The material structure described by Sr2MgVO4 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 11-coordinate geometry to two equivalent Mg(1), four equivalent O(2), and five equivalent O(1) atoms. In the second Sr site, Sr(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), four equivalent O(2), and five equivalent O(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1) and four equivalent O(1) atoms. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to five equivalent Sr(1), two equivalent Mg(1), and one V(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent V(1) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4V2 octahedra. The corner-sharing octahedral tilt angles are 8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.069
_cell_length_b   4.069
_cell_length_c   7.616
_cell_angle_alpha   105.493
_cell_angle_beta   105.492
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.723
_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  0.610  0.610  0.220  1.0
  Sr  Sr1  1  0.390  0.390  0.780  1.0
  Mg  Mg2  1  0.750  0.250  0.500  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.808  0.808  0.615  1.0
  O  O5  1  0.192  0.192  0.385  1.0
  O  O6  1  0.510  0.010  0.019  1.0
  O  O7  1  0.990  0.490  0.981  1.0
[/CIF]
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