The material structure described by Sr2MgVO4 crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Mg(1) is bonded to one O(2) and four equivalent O(3) atoms to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Mg(1)O5 trigonal bipyramids and edges with four equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent V(1)O5 trigonal bipyramids and edges with four equivalent Mg(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sr(2), and one V(1) atom to form distorted OSr5V octahedra that share corners with four equivalent O(1)Sr5V octahedra, edges with four equivalent O(2)Sr5Mg octahedra, and edges with four equivalent O(1)Sr5V octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second O site, O(2) is bonded to one Sr(2), four equivalent Sr(1), and one Mg(1) atom to form distorted OSr5Mg octahedra that share corners with four equivalent O(2)Sr5Mg octahedra, edges with four equivalent O(2)Sr5Mg octahedra, and edges with four equivalent O(1)Sr5V octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Sr2MgVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.903
_cell_length_b   3.903
_cell_length_c   7.763
_cell_angle_alpha   91.706
_cell_angle_beta   91.706
_cell_angle_gamma   89.449
_symmetry_Int_Tables_number   1
_cell_volume   118.146
_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  0.852  0.852  0.353  1.0
  Sr  Sr1  1  0.355  0.355  0.680  1.0
  Mg  Mg2  1  0.344  0.344  0.106  1.0
  V  V3  1  0.833  0.833  0.934  1.0
  O  O4  1  0.898  0.898  0.661  1.0
  O  O5  1  0.363  0.363  0.367  1.0
  O  O6  1  0.347  0.840  0.028  1.0
  O  O7  1  0.840  0.347  0.028  1.0
[/CIF]
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The material structure described by Sr2MgVO4 crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Mg(1) is bonded to one O(2) and four equivalent O(3) atoms to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Mg(1)O5 trigonal bipyramids and edges with four equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent V(1)O5 trigonal bipyramids and edges with four equivalent Mg(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sr(2), and one V(1) atom to form distorted OSr5V octahedra that share corners with four equivalent O(1)Sr5V octahedra, edges with four equivalent O(2)Sr5Mg octahedra, and edges with four equivalent O(1)Sr5V octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second O site, O(2) is bonded to one Sr(2), four equivalent Sr(1), and one Mg(1) atom to form distorted OSr5Mg octahedra that share corners with four equivalent O(2)Sr5Mg octahedra, edges with four equivalent O(2)Sr5Mg octahedra, and edges with four equivalent O(1)Sr5V octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Sr2MgVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.903
_cell_length_b   3.903
_cell_length_c   7.763
_cell_angle_alpha   91.706
_cell_angle_beta   91.706
_cell_angle_gamma   89.449
_symmetry_Int_Tables_number   1
_cell_volume   118.146
_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  0.852  0.852  0.353  1.0
  Sr  Sr1  1  0.355  0.355  0.680  1.0
  Mg  Mg2  1  0.344  0.344  0.106  1.0
  V  V3  1  0.833  0.833  0.934  1.0
  O  O4  1  0.898  0.898  0.661  1.0
  O  O5  1  0.363  0.363  0.367  1.0
  O  O6  1  0.347  0.840  0.028  1.0
  O  O7  1  0.840  0.347  0.028  1.0
[/CIF]
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