The compound described by Sr2YV2TlO7 crystallizes in the orthorhombic Pmmm space group. Sr(1) is bonded to one O(4) and four equivalent O(3) atoms to form distorted SrO5 square pyramids that share corners with five equivalent Sr(1)O5 square pyramids, corners with four equivalent V(1)O5 trigonal bipyramids, edges with four equivalent Tl(1)O6 octahedra, and edges with four equivalent Sr(1)O5 square pyramids. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Tl(1)O6 octahedra, corners with four equivalent Sr(1)O5 square pyramids, and corners with four equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. Tl(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form TlO6 octahedra that share corners with four equivalent Tl(1)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, edges with four equivalent Tl(1)O6 octahedra, and edges with eight equivalent Sr(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent V(1) atoms to form distorted OY2V2 tetrahedra that share corners with two equivalent O(3)Sr4TlV octahedra, corners with six equivalent O(2)Y2V2 tetrahedra, and  an edgeedge with one O(2)Y2V2 tetrahedra. The corner-sharing octahedral tilt angles are 73°. In the third O site, O(3) is bonded to four equivalent Sr(1), one V(1), and one Tl(1) atom to form distorted OSr4TlV octahedra that share corners with five equivalent O(3)Sr4TlV octahedra, corners with two equivalent O(2)Y2V2 tetrahedra, edges with four equivalent O(4)Sr2Tl4 octahedra, and edges with four equivalent O(3)Sr4TlV octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fourth O site, O(4) is bonded to two equivalent Sr(1) and four equivalent Tl(1) atoms to form OSr2Tl4 octahedra that share corners with four equivalent O(4)Sr2Tl4 octahedra, edges with four equivalent O(4)Sr2Tl4 octahedra, and edges with eight equivalent O(3)Sr4TlV octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr2YTlV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.789
_cell_length_b   4.023
_cell_length_c   13.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.740
_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  0.000  0.000  0.317  1.0
  Sr  Sr1  1  0.000  0.000  0.683  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Tl  Tl3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.500  0.500  0.148  1.0
  V  V5  1  0.500  0.500  0.852  1.0
  O  O6  1  0.500  0.000  0.113  1.0
  O  O7  1  0.000  0.500  0.103  1.0
  O  O8  1  0.500  0.000  0.887  1.0
  O  O9  1  0.000  0.500  0.897  1.0
  O  O10  1  0.500  0.500  0.293  1.0
  O  O11  1  0.500  0.500  0.707  1.0
  O  O12  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by Sr2YV2TlO7 crystallizes in the orthorhombic Pmmm space group. Sr(1) is bonded to one O(4) and four equivalent O(3) atoms to form distorted SrO5 square pyramids that share corners with five equivalent Sr(1)O5 square pyramids, corners with four equivalent V(1)O5 trigonal bipyramids, edges with four equivalent Tl(1)O6 octahedra, and edges with four equivalent Sr(1)O5 square pyramids. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Tl(1)O6 octahedra, corners with four equivalent Sr(1)O5 square pyramids, and corners with four equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. Tl(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form TlO6 octahedra that share corners with four equivalent Tl(1)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, edges with four equivalent Tl(1)O6 octahedra, and edges with eight equivalent Sr(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent V(1) atoms to form distorted OY2V2 tetrahedra that share corners with two equivalent O(3)Sr4TlV octahedra, corners with six equivalent O(2)Y2V2 tetrahedra, and  an edgeedge with one O(2)Y2V2 tetrahedra. The corner-sharing octahedral tilt angles are 73°. In the third O site, O(3) is bonded to four equivalent Sr(1), one V(1), and one Tl(1) atom to form distorted OSr4TlV octahedra that share corners with five equivalent O(3)Sr4TlV octahedra, corners with two equivalent O(2)Y2V2 tetrahedra, edges with four equivalent O(4)Sr2Tl4 octahedra, and edges with four equivalent O(3)Sr4TlV octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fourth O site, O(4) is bonded to two equivalent Sr(1) and four equivalent Tl(1) atoms to form OSr2Tl4 octahedra that share corners with four equivalent O(4)Sr2Tl4 octahedra, edges with four equivalent O(4)Sr2Tl4 octahedra, and edges with eight equivalent O(3)Sr4TlV octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr2YTlV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.789
_cell_length_b   4.023
_cell_length_c   13.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.740
_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  0.000  0.000  0.317  1.0
  Sr  Sr1  1  0.000  0.000  0.683  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Tl  Tl3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.500  0.500  0.148  1.0
  V  V5  1  0.500  0.500  0.852  1.0
  O  O6  1  0.500  0.000  0.113  1.0
  O  O7  1  0.000  0.500  0.103  1.0
  O  O8  1  0.500  0.000  0.887  1.0
  O  O9  1  0.000  0.500  0.897  1.0
  O  O10  1  0.500  0.500  0.293  1.0
  O  O11  1  0.500  0.500  0.707  1.0
  O  O12  1  0.000  0.000  0.500  1.0
[/CIF]
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