The material structure described by Sr2VMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent V(1)O6 octahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent Mo(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent V(1)O6 octahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent Mo(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(4), one O(5), one O(7), and two equivalent O(1) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second V site, V(2) is bonded to one O(3), one O(6), one O(8), one O(9), and two equivalent O(1) 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, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3), one O(5), one O(7), one O(9), and two equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Mo site, Mo(2) is bonded to one O(10), one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one V(2) atom to form distorted OSr4V2 octahedra that share corners with two equivalent O(3)Sr4VMo octahedra, corners with two equivalent O(4)Sr4VMo octahedra, corners with two equivalent O(5)Sr4VMo octahedra, corners with two equivalent O(7)Sr4VMo octahedra, corners with two equivalent O(9)Sr4VMo octahedra, corners with six equivalent O(1)Sr4V2 octahedra, edges with four equivalent O(2)Sr4Mo2 octahedra,  a faceface with one O(3)Sr4VMo octahedra,  a faceface with one O(4)Sr4VMo octahedra,  a faceface with one O(5)Sr4VMo octahedra,  a faceface with one O(7)Sr4VMo octahedra, and  a faceface with one O(9)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mo(2) atom to form distorted OSr4Mo2 octahedra that share corners with two equivalent O(3)Sr4VMo octahedra, corners with two equivalent O(4)Sr4VMo octahedra, corners with two equivalent O(5)Sr4VMo octahedra, corners with two equivalent O(7)Sr4VMo octahedra, corners with two equivalent O(9)Sr4VMo octahedra, corners with six equivalent O(2)Sr4Mo2 octahedra, edges with four equivalent O(1)Sr4V2 octahedra,  a faceface with one O(3)Sr4VMo octahedra,  a faceface with one O(4)Sr4VMo octahedra,  a faceface with one O(5)Sr4VMo octahedra,  a faceface with one O(7)Sr4VMo octahedra, and  a faceface with one O(9)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(7)Sr4VMo octahedra, corners with three equivalent O(5)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(1)Sr4V2 octahedra,  an edgeedge with one O(5)Sr4VMo octahedra, edges with two equivalent O(4)Sr4VMo octahedra,  a faceface with one O(7)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(1)Sr4V2 octahedra, and faces with two equivalent O(9)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one Mo(2) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(7)Sr4VMo octahedra, corners with three equivalent O(5)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(1)Sr4V2 octahedra, corners with four equivalent O(9)Sr4VMo octahedra,  an edgeedge with one O(5)Sr4VMo octahedra, edges with two equivalent O(3)Sr4VMo octahedra,  a faceface with one O(7)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, and faces with two equivalent O(1)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(9)Sr4VMo octahedra, corners with three equivalent O(3)Sr4VMo octahedra, corners with three equivalent O(4)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(1)Sr4V2 octahedra,  an edgeedge with one O(3)Sr4VMo octahedra,  an edgeedge with one O(4)Sr4VMo octahedra,  a faceface with one O(9)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(1)Sr4V2 octahedra, and faces with two equivalent O(7)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the sixth O site, O(6) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(3)Sr4VMo octahedra, corners with two equivalent O(4)Sr4VMo octahedra, corners with three equivalent O(9)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(1)Sr4V2 octahedra,  an edgeedge with one O(9)Sr4VMo octahedra,  a faceface with one O(3)Sr4VMo octahedra,  a faceface with one O(4)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(1)Sr4V2 octahedra, and faces with two equivalent O(5)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one Mo(2) atom. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(5)Sr4VMo octahedra, corners with three equivalent O(7)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(1)Sr4V2 octahedra, corners with four equivalent O(4)Sr4VMo octahedra,  an edgeedge with one O(7)Sr4VMo octahedra,  a faceface with one O(5)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(1)Sr4V2 octahedra, and faces with two equivalent O(3)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the tenth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_Sr2VMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.035
_cell_length_b   5.652
_cell_length_c   5.654
_cell_angle_alpha   89.921
_cell_angle_beta   90.003
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   128.936
_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  1.000  0.501  0.500  1.0
  O  O1  1  0.500  0.003  0.003  1.0
  O  O2  1  0.500  0.499  0.499  1.0
  O  O3  1  0.000  0.253  0.254  1.0
  O  O4  1  1.000  0.748  0.748  1.0
  O  O5  1  0.000  0.753  0.247  1.0
  O  O6  1  1.000  0.247  0.753  1.0
  Sr  Sr7  1  0.500  0.002  0.497  1.0
  Sr  Sr8  1  0.500  0.497  0.002  1.0
  V  V9  1  1.000  0.998  0.998  1.0
[/CIF]
.
The material structure described by Sr2VMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent V(1)O6 octahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent Mo(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent V(1)O6 octahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent Mo(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(4), one O(5), one O(7), and two equivalent O(1) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second V site, V(2) is bonded to one O(3), one O(6), one O(8), one O(9), and two equivalent O(1) 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, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3), one O(5), one O(7), one O(9), and two equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Mo site, Mo(2) is bonded to one O(10), one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one V(2) atom to form distorted OSr4V2 octahedra that share corners with two equivalent O(3)Sr4VMo octahedra, corners with two equivalent O(4)Sr4VMo octahedra, corners with two equivalent O(5)Sr4VMo octahedra, corners with two equivalent O(7)Sr4VMo octahedra, corners with two equivalent O(9)Sr4VMo octahedra, corners with six equivalent O(1)Sr4V2 octahedra, edges with four equivalent O(2)Sr4Mo2 octahedra,  a faceface with one O(3)Sr4VMo octahedra,  a faceface with one O(4)Sr4VMo octahedra,  a faceface with one O(5)Sr4VMo octahedra,  a faceface with one O(7)Sr4VMo octahedra, and  a faceface with one O(9)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mo(2) atom to form distorted OSr4Mo2 octahedra that share corners with two equivalent O(3)Sr4VMo octahedra, corners with two equivalent O(4)Sr4VMo octahedra, corners with two equivalent O(5)Sr4VMo octahedra, corners with two equivalent O(7)Sr4VMo octahedra, corners with two equivalent O(9)Sr4VMo octahedra, corners with six equivalent O(2)Sr4Mo2 octahedra, edges with four equivalent O(1)Sr4V2 octahedra,  a faceface with one O(3)Sr4VMo octahedra,  a faceface with one O(4)Sr4VMo octahedra,  a faceface with one O(5)Sr4VMo octahedra,  a faceface with one O(7)Sr4VMo octahedra, and  a faceface with one O(9)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(7)Sr4VMo octahedra, corners with three equivalent O(5)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(1)Sr4V2 octahedra,  an edgeedge with one O(5)Sr4VMo octahedra, edges with two equivalent O(4)Sr4VMo octahedra,  a faceface with one O(7)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(1)Sr4V2 octahedra, and faces with two equivalent O(9)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one Mo(2) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(7)Sr4VMo octahedra, corners with three equivalent O(5)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(1)Sr4V2 octahedra, corners with four equivalent O(9)Sr4VMo octahedra,  an edgeedge with one O(5)Sr4VMo octahedra, edges with two equivalent O(3)Sr4VMo octahedra,  a faceface with one O(7)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, and faces with two equivalent O(1)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(9)Sr4VMo octahedra, corners with three equivalent O(3)Sr4VMo octahedra, corners with three equivalent O(4)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(1)Sr4V2 octahedra,  an edgeedge with one O(3)Sr4VMo octahedra,  an edgeedge with one O(4)Sr4VMo octahedra,  a faceface with one O(9)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(1)Sr4V2 octahedra, and faces with two equivalent O(7)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the sixth O site, O(6) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(3)Sr4VMo octahedra, corners with two equivalent O(4)Sr4VMo octahedra, corners with three equivalent O(9)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(1)Sr4V2 octahedra,  an edgeedge with one O(9)Sr4VMo octahedra,  a faceface with one O(3)Sr4VMo octahedra,  a faceface with one O(4)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(1)Sr4V2 octahedra, and faces with two equivalent O(5)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one Mo(2) atom. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(2), one V(2), and one Mo(1) atom to form distorted OSr4VMo octahedra that share corners with two equivalent O(5)Sr4VMo octahedra, corners with three equivalent O(7)Sr4VMo octahedra, corners with four equivalent O(2)Sr4Mo2 octahedra, corners with four equivalent O(1)Sr4V2 octahedra, corners with four equivalent O(4)Sr4VMo octahedra,  an edgeedge with one O(7)Sr4VMo octahedra,  a faceface with one O(5)Sr4VMo octahedra, faces with two equivalent O(2)Sr4Mo2 octahedra, faces with two equivalent O(1)Sr4V2 octahedra, and faces with two equivalent O(3)Sr4VMo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the tenth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one V(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_Sr2VMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.035
_cell_length_b   5.652
_cell_length_c   5.654
_cell_angle_alpha   89.921
_cell_angle_beta   90.003
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   128.936
_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  1.000  0.501  0.500  1.0
  O  O1  1  0.500  0.003  0.003  1.0
  O  O2  1  0.500  0.499  0.499  1.0
  O  O3  1  0.000  0.253  0.254  1.0
  O  O4  1  1.000  0.748  0.748  1.0
  O  O5  1  0.000  0.753  0.247  1.0
  O  O6  1  1.000  0.247  0.753  1.0
  Sr  Sr7  1  0.500  0.002  0.497  1.0
  Sr  Sr8  1  0.500  0.497  0.002  1.0
  V  V9  1  1.000  0.998  0.998  1.0
[/CIF]
.