The crystal structure described by Sr2MgZrVO6 crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Sr(1) and four equivalent O(1) atoms. Zr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZrO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Mg(1), one Zr(1), and one V(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr2MgZrV trigonal bipyramids. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Zr(1), and one V(1) atom. is represented by the CIF file [CIF]
data_Sr2MgZrVO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.240
_cell_length_b   5.871
_cell_length_c   5.815
_cell_angle_alpha   90.023
_cell_angle_beta   117.760
_cell_angle_gamma   118.049
_symmetry_Int_Tables_number   1
_cell_volume   159.692
_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  0.636  0.818  0.318  1.0
  Sr  Sr1  1  0.364  0.182  0.682  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Zr  Zr3  1  0.000  0.500  0.500  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.000  0.747  0.244  1.0
  O  O6  1  0.000  0.253  0.756  1.0
  O  O7  1  0.470  0.735  0.735  1.0
  O  O8  1  0.530  0.265  0.265  1.0
  O  O9  1  0.000  0.254  0.243  1.0
  O  O10  1  0.000  0.746  0.757  1.0
[/CIF]
.
The crystal structure described by Sr2MgZrVO6 crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Sr(1) and four equivalent O(1) atoms. Zr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZrO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Mg(1), one Zr(1), and one V(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr2MgZrV trigonal bipyramids. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Zr(1), and one V(1) atom. is represented by the CIF file [CIF]
data_Sr2MgZrVO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.240
_cell_length_b   5.871
_cell_length_c   5.815
_cell_angle_alpha   90.023
_cell_angle_beta   117.760
_cell_angle_gamma   118.049
_symmetry_Int_Tables_number   1
_cell_volume   159.692
_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  0.636  0.818  0.318  1.0
  Sr  Sr1  1  0.364  0.182  0.682  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Zr  Zr3  1  0.000  0.500  0.500  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.000  0.747  0.244  1.0
  O  O6  1  0.000  0.253  0.756  1.0
  O  O7  1  0.470  0.735  0.735  1.0
  O  O8  1  0.530  0.265  0.265  1.0
  O  O9  1  0.000  0.254  0.243  1.0
  O  O10  1  0.000  0.746  0.757  1.0
[/CIF]
.