The structure described by Sr2VMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with two equivalent Mo(2)O6 octahedra, and faces with four equivalent V(1)O6 octahedra. V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Mo site, Mo(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Mo(2) atom to form distorted OSr4Mo2 octahedra that share corners with six equivalent O(2)Sr4Mo2 octahedra, corners with eight equivalent O(3)Sr4VMo octahedra, corners with eight equivalent O(4)Sr4VMo octahedra, faces with four equivalent O(3)Sr4VMo octahedra, and faces with four equivalent O(4)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded to four equivalent Sr(1), one V(1), and one Mo(2) atom to form distorted OSr4VMo octahedra that share corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(4)Sr4VMo octahedra, corners with ten equivalent O(3)Sr4VMo octahedra, edges with four equivalent O(4)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(3)Sr4VMo octahedra, and faces with two equivalent O(4)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one V(1), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(3)Sr4VMo octahedra, corners with ten equivalent O(4)Sr4VMo octahedra, edges with four equivalent O(3)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(3)Sr4VMo octahedra, and faces with two equivalent O(4)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_Sr2VMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.008
_cell_length_b   5.646
_cell_length_c   5.646
_cell_angle_alpha   89.915
_cell_angle_beta   89.999
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   127.749
_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
  Mo  Mo0  1  0.000  0.500  0.500  1.0
  O  O1  1  0.500  0.000  0.000  1.0
  O  O2  1  0.500  0.500  0.500  1.0
  O  O3  1  1.000  0.243  0.757  1.0
  O  O4  1  0.000  0.757  0.243  1.0
  O  O5  1  0.000  0.757  0.757  1.0
  O  O6  1  1.000  0.243  0.243  1.0
  Sr  Sr7  1  0.500  1.000  0.500  1.0
  Sr  Sr8  1  0.500  0.500  0.000  1.0
  V  V9  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Sr2VMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Mo(1)O6 octahedra, faces with two equivalent Mo(2)O6 octahedra, and faces with four equivalent V(1)O6 octahedra. V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Mo site, Mo(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Mo(2) atom to form distorted OSr4Mo2 octahedra that share corners with six equivalent O(2)Sr4Mo2 octahedra, corners with eight equivalent O(3)Sr4VMo octahedra, corners with eight equivalent O(4)Sr4VMo octahedra, faces with four equivalent O(3)Sr4VMo octahedra, and faces with four equivalent O(4)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded to four equivalent Sr(1), one V(1), and one Mo(2) atom to form distorted OSr4VMo octahedra that share corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(4)Sr4VMo octahedra, corners with ten equivalent O(3)Sr4VMo octahedra, edges with four equivalent O(4)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(3)Sr4VMo octahedra, and faces with two equivalent O(4)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one V(1), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(3)Sr4VMo octahedra, corners with ten equivalent O(4)Sr4VMo octahedra, edges with four equivalent O(3)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(3)Sr4VMo octahedra, and faces with two equivalent O(4)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_Sr2VMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.008
_cell_length_b   5.646
_cell_length_c   5.646
_cell_angle_alpha   89.915
_cell_angle_beta   89.999
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   127.749
_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
  Mo  Mo0  1  0.000  0.500  0.500  1.0
  O  O1  1  0.500  0.000  0.000  1.0
  O  O2  1  0.500  0.500  0.500  1.0
  O  O3  1  1.000  0.243  0.757  1.0
  O  O4  1  0.000  0.757  0.243  1.0
  O  O5  1  0.000  0.757  0.757  1.0
  O  O6  1  1.000  0.243  0.243  1.0
  Sr  Sr7  1  0.500  1.000  0.500  1.0
  Sr  Sr8  1  0.500  0.500  0.000  1.0
  V  V9  1  0.000  0.000  0.000  1.0
[/CIF]
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