The compound described by Sr2VMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) 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(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. In the second Sr site, Sr(2) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) 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(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. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second V site, V(2) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)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 one O(1), one O(3), two equivalent O(7), and two equivalent O(8) atoms to form MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with four 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 octahedra are not tilted. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), two equivalent O(7), and two equivalent O(8) atoms to form MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with four 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 octahedra are not tilted. There are eight inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one V(1), and one Mo(1) atom to form distorted OSr4VMo octahedra that share  a cornercorner with one O(3)Sr4VMo octahedra,  a cornercorner with one O(4)Sr4VMo octahedra, corners with four equivalent O(5)Sr4V2 octahedra, corners with four equivalent O(6)Sr4V2 octahedra, corners with four equivalent O(1)Sr4VMo octahedra, edges with four equivalent O(2)Sr4VMo octahedra, faces with two equivalent O(5)Sr4V2 octahedra, and faces with two equivalent O(6)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to four equivalent Sr(1), one V(2), and one Mo(2) atom to form distorted OSr4VMo octahedra that share  a cornercorner with one O(3)Sr4VMo octahedra,  a cornercorner with one O(4)Sr4VMo octahedra, corners with four equivalent O(5)Sr4V2 octahedra, corners with four equivalent O(6)Sr4V2 octahedra, corners with four equivalent O(2)Sr4VMo octahedra, edges with four equivalent O(1)Sr4VMo octahedra, faces with two equivalent O(5)Sr4V2 octahedra, and faces with two equivalent O(6)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the third O site, O(3) is bonded to four equivalent Sr(2), one V(2), and one Mo(1) atom to form distorted OSr4VMo octahedra that share  a cornercorner with one O(1)Sr4VMo octahedra,  a cornercorner with one O(2)Sr4VMo octahedra, corners with four equivalent O(5)Sr4V2 octahedra, corners with four equivalent O(6)Sr4V2 octahedra, corners with four equivalent O(3)Sr4VMo octahedra, edges with four equivalent O(4)Sr4VMo octahedra, faces with two equivalent O(5)Sr4V2 octahedra, and faces with two equivalent O(6)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the fourth O site, O(4) is bonded to four equivalent Sr(2), one V(1), and one Mo(2) atom to form distorted OSr4VMo octahedra that share  a cornercorner with one O(1)Sr4VMo octahedra,  a cornercorner with one O(2)Sr4VMo octahedra, corners with four equivalent O(5)Sr4V2 octahedra, corners with four equivalent O(6)Sr4V2 octahedra, corners with four equivalent O(4)Sr4VMo octahedra, edges with four equivalent O(3)Sr4VMo octahedra, faces with two equivalent O(5)Sr4V2 octahedra, and faces with two equivalent O(6)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the fifth O site, O(5) 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(5)Sr4V2 octahedra, corners with two equivalent O(1)Sr4VMo octahedra, corners with two equivalent O(2)Sr4VMo octahedra, corners with two equivalent O(3)Sr4VMo octahedra, corners with two equivalent O(4)Sr4VMo octahedra, edges with two equivalent O(5)Sr4V2 octahedra,  a faceface with one O(1)Sr4VMo octahedra,  a faceface with one O(2)Sr4VMo octahedra,  a faceface with one O(3)Sr4VMo octahedra,  a faceface with one O(4)Sr4VMo octahedra, and faces with four equivalent O(6)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the sixth O site, O(6) 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(6)Sr4V2 octahedra, corners with two equivalent O(1)Sr4VMo octahedra, corners with two equivalent O(2)Sr4VMo octahedra, corners with two equivalent O(3)Sr4VMo octahedra, corners with two equivalent O(4)Sr4VMo octahedra, edges with two equivalent O(6)Sr4V2 octahedra,  a faceface with one O(1)Sr4VMo octahedra,  a faceface with one O(2)Sr4VMo octahedra,  a faceface with one O(3)Sr4VMo octahedra,  a faceface with one O(4)Sr4VMo octahedra, and faces with four equivalent O(5)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2VMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.995
_cell_length_b   4.018
_cell_length_c   8.029
_cell_angle_alpha   90.024
_cell_angle_beta   89.998
_cell_angle_gamma   90.013
_symmetry_Int_Tables_number   1
_cell_volume   128.909
_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  1.000  0.500  1.0
  O  O1  1  1.000  0.000  0.249  1.0
  O  O2  1  0.000  1.000  0.751  1.0
  O  O3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.000  0.500  1.000  1.0
  O  O5  1  0.500  1.000  0.500  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  Sr  Sr7  1  0.500  0.500  0.230  1.0
  Sr  Sr8  1  0.500  0.500  0.770  1.0
  V  V9  1  1.000  0.000  1.000  1.0
[/CIF]
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The compound described by Sr2VMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) 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(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. In the second Sr site, Sr(2) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) 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(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. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second V site, V(2) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)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 one O(1), one O(3), two equivalent O(7), and two equivalent O(8) atoms to form MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with four 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 octahedra are not tilted. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), two equivalent O(7), and two equivalent O(8) atoms to form MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with four 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 octahedra are not tilted. There are eight inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one V(1), and one Mo(1) atom to form distorted OSr4VMo octahedra that share  a cornercorner with one O(3)Sr4VMo octahedra,  a cornercorner with one O(4)Sr4VMo octahedra, corners with four equivalent O(5)Sr4V2 octahedra, corners with four equivalent O(6)Sr4V2 octahedra, corners with four equivalent O(1)Sr4VMo octahedra, edges with four equivalent O(2)Sr4VMo octahedra, faces with two equivalent O(5)Sr4V2 octahedra, and faces with two equivalent O(6)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to four equivalent Sr(1), one V(2), and one Mo(2) atom to form distorted OSr4VMo octahedra that share  a cornercorner with one O(3)Sr4VMo octahedra,  a cornercorner with one O(4)Sr4VMo octahedra, corners with four equivalent O(5)Sr4V2 octahedra, corners with four equivalent O(6)Sr4V2 octahedra, corners with four equivalent O(2)Sr4VMo octahedra, edges with four equivalent O(1)Sr4VMo octahedra, faces with two equivalent O(5)Sr4V2 octahedra, and faces with two equivalent O(6)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the third O site, O(3) is bonded to four equivalent Sr(2), one V(2), and one Mo(1) atom to form distorted OSr4VMo octahedra that share  a cornercorner with one O(1)Sr4VMo octahedra,  a cornercorner with one O(2)Sr4VMo octahedra, corners with four equivalent O(5)Sr4V2 octahedra, corners with four equivalent O(6)Sr4V2 octahedra, corners with four equivalent O(3)Sr4VMo octahedra, edges with four equivalent O(4)Sr4VMo octahedra, faces with two equivalent O(5)Sr4V2 octahedra, and faces with two equivalent O(6)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the fourth O site, O(4) is bonded to four equivalent Sr(2), one V(1), and one Mo(2) atom to form distorted OSr4VMo octahedra that share  a cornercorner with one O(1)Sr4VMo octahedra,  a cornercorner with one O(2)Sr4VMo octahedra, corners with four equivalent O(5)Sr4V2 octahedra, corners with four equivalent O(6)Sr4V2 octahedra, corners with four equivalent O(4)Sr4VMo octahedra, edges with four equivalent O(3)Sr4VMo octahedra, faces with two equivalent O(5)Sr4V2 octahedra, and faces with two equivalent O(6)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the fifth O site, O(5) 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(5)Sr4V2 octahedra, corners with two equivalent O(1)Sr4VMo octahedra, corners with two equivalent O(2)Sr4VMo octahedra, corners with two equivalent O(3)Sr4VMo octahedra, corners with two equivalent O(4)Sr4VMo octahedra, edges with two equivalent O(5)Sr4V2 octahedra,  a faceface with one O(1)Sr4VMo octahedra,  a faceface with one O(2)Sr4VMo octahedra,  a faceface with one O(3)Sr4VMo octahedra,  a faceface with one O(4)Sr4VMo octahedra, and faces with four equivalent O(6)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the sixth O site, O(6) 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(6)Sr4V2 octahedra, corners with two equivalent O(1)Sr4VMo octahedra, corners with two equivalent O(2)Sr4VMo octahedra, corners with two equivalent O(3)Sr4VMo octahedra, corners with two equivalent O(4)Sr4VMo octahedra, edges with two equivalent O(6)Sr4V2 octahedra,  a faceface with one O(1)Sr4VMo octahedra,  a faceface with one O(2)Sr4VMo octahedra,  a faceface with one O(3)Sr4VMo octahedra,  a faceface with one O(4)Sr4VMo octahedra, and faces with four equivalent O(5)Sr4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2VMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.995
_cell_length_b   4.018
_cell_length_c   8.029
_cell_angle_alpha   90.024
_cell_angle_beta   89.998
_cell_angle_gamma   90.013
_symmetry_Int_Tables_number   1
_cell_volume   128.909
_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  1.000  0.500  1.0
  O  O1  1  1.000  0.000  0.249  1.0
  O  O2  1  0.000  1.000  0.751  1.0
  O  O3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.000  0.500  1.000  1.0
  O  O5  1  0.500  1.000  0.500  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  Sr  Sr7  1  0.500  0.500  0.230  1.0
  Sr  Sr8  1  0.500  0.500  0.770  1.0
  V  V9  1  1.000  0.000  1.000  1.0
[/CIF]
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