The compound described by Sr2VMoO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2); two equivalent O(3); two equivalent O(4); two equivalent O(5); and four O(1,1) atoms. In the second Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2); two equivalent O(3); two equivalent O(4); two equivalent O(5); and four O(1,1) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. In the second Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four Sr(1,1); one V(1); and one Mo(1) atom. In the second O site, O(1) is bonded in a 6-coordinate geometry to four Sr(1,1); one V(1); and one Mo(1) atom. In the third O site, O(2) is bonded to four Sr(1,1) and two equivalent V(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(3) is bonded to four Sr(1,1) and two equivalent V(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(4) is bonded in a 6-coordinate geometry to four Sr(1,1) and two Mo(1,1) atoms. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to four Sr(1,1) and two Mo(1,1) atoms. is represented by the CIF card [CIF]
data_Sr2VMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.673
_cell_length_b   5.706
_cell_length_c   7.915
_cell_angle_alpha   89.995
_cell_angle_beta   89.998
_cell_angle_gamma   89.933
_symmetry_Int_Tables_number   1
_cell_volume   256.186
_cell_formula_units_Z   2
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  0.500  0.003  0.231  1.0
  Sr  Sr1  1  1.000  0.497  0.231  1.0
  Sr  Sr2  1  0.500  0.997  0.769  1.0
  Sr  Sr3  1  0.000  0.503  0.769  1.0
  V  V4  1  0.500  0.500  1.000  1.0
  V  V5  1  0.000  1.000  0.000  1.0
  Mo  Mo6  1  0.000  0.000  0.500  1.0
  Mo  Mo7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.003  0.952  0.238  1.0
  O  O9  1  0.497  0.548  0.238  1.0
  O  O10  1  0.997  0.048  0.762  1.0
  O  O11  1  0.503  0.452  0.762  1.0
  O  O12  1  0.250  0.250  0.020  1.0
  O  O13  1  0.750  0.750  0.980  1.0
  O  O14  1  0.250  0.750  0.977  1.0
  O  O15  1  0.750  0.250  0.023  1.0
  O  O16  1  0.249  0.251  0.467  1.0
  O  O17  1  0.750  0.750  0.533  1.0
  O  O18  1  0.251  0.751  0.538  1.0
  O  O19  1  0.749  0.249  0.462  1.0
[/CIF]
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The compound described by Sr2VMoO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2); two equivalent O(3); two equivalent O(4); two equivalent O(5); and four O(1,1) atoms. In the second Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2); two equivalent O(3); two equivalent O(4); two equivalent O(5); and four O(1,1) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. In the second Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four Sr(1,1); one V(1); and one Mo(1) atom. In the second O site, O(1) is bonded in a 6-coordinate geometry to four Sr(1,1); one V(1); and one Mo(1) atom. In the third O site, O(2) is bonded to four Sr(1,1) and two equivalent V(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(3) is bonded to four Sr(1,1) and two equivalent V(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4V2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(4) is bonded in a 6-coordinate geometry to four Sr(1,1) and two Mo(1,1) atoms. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to four Sr(1,1) and two Mo(1,1) atoms. is represented by the CIF card [CIF]
data_Sr2VMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.673
_cell_length_b   5.706
_cell_length_c   7.915
_cell_angle_alpha   89.995
_cell_angle_beta   89.998
_cell_angle_gamma   89.933
_symmetry_Int_Tables_number   1
_cell_volume   256.186
_cell_formula_units_Z   2
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  0.500  0.003  0.231  1.0
  Sr  Sr1  1  1.000  0.497  0.231  1.0
  Sr  Sr2  1  0.500  0.997  0.769  1.0
  Sr  Sr3  1  0.000  0.503  0.769  1.0
  V  V4  1  0.500  0.500  1.000  1.0
  V  V5  1  0.000  1.000  0.000  1.0
  Mo  Mo6  1  0.000  0.000  0.500  1.0
  Mo  Mo7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.003  0.952  0.238  1.0
  O  O9  1  0.497  0.548  0.238  1.0
  O  O10  1  0.997  0.048  0.762  1.0
  O  O11  1  0.503  0.452  0.762  1.0
  O  O12  1  0.250  0.250  0.020  1.0
  O  O13  1  0.750  0.750  0.980  1.0
  O  O14  1  0.250  0.750  0.977  1.0
  O  O15  1  0.750  0.250  0.023  1.0
  O  O16  1  0.249  0.251  0.467  1.0
  O  O17  1  0.750  0.750  0.533  1.0
  O  O18  1  0.251  0.751  0.538  1.0
  O  O19  1  0.749  0.249  0.462  1.0
[/CIF]
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