The structure described by Ba2YSn3O7 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SnO5 square pyramids. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Sn(2) atoms to form OBa4Sn2 octahedra that share corners with two equivalent O(1)Ba4Sn2 octahedra, corners with four equivalent O(3)Ba2Y2Sn2 octahedra, corners with eight equivalent O(4)Ba4Sn2 octahedra, edges with two equivalent O(3)Ba2Y2Sn2 octahedra, edges with two equivalent O(1)Ba4Sn2 octahedra, and faces with four equivalent O(4)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent Sn(1) atoms to form distorted OBa2Y2Sn2 octahedra that share corners with two equivalent O(1)Ba4Sn2 octahedra, corners with four equivalent O(3)Ba2Y2Sn2 octahedra, corners with four equivalent O(4)Ba4Sn2 octahedra,  an edgeedge with one O(1)Ba4Sn2 octahedra, edges with three equivalent O(3)Ba2Y2Sn2 octahedra, and faces with two equivalent O(4)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Sn(1), and one Sn(2) atom to form distorted OBa4Sn2 octahedra that share corners with four equivalent O(3)Ba2Y2Sn2 octahedra, corners with four equivalent O(1)Ba4Sn2 octahedra, corners with five equivalent O(4)Ba4Sn2 octahedra, edges with four equivalent O(4)Ba4Sn2 octahedra, faces with two equivalent O(3)Ba2Y2Sn2 octahedra, and faces with two equivalent O(1)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the CIF file [CIF]
data_Ba2YSn3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.191
_cell_length_b   4.383
_cell_length_c   11.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.387
_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
  Ba  Ba0  1  0.500  0.500  0.327  1.0
  Ba  Ba1  1  0.500  0.500  0.673  1.0
  Y  Y2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.132  1.0
  Sn  Sn4  1  0.000  0.000  0.868  1.0
  Sn  Sn5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.122  1.0
  O  O8  1  0.500  0.000  0.878  1.0
  O  O9  1  0.000  0.500  0.123  1.0
  O  O10  1  0.000  0.500  0.877  1.0
  O  O11  1  0.000  0.000  0.305  1.0
  O  O12  1  0.000  0.000  0.695  1.0
[/CIF]
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The structure described by Ba2YSn3O7 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SnO5 square pyramids. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Sn(2) atoms to form OBa4Sn2 octahedra that share corners with two equivalent O(1)Ba4Sn2 octahedra, corners with four equivalent O(3)Ba2Y2Sn2 octahedra, corners with eight equivalent O(4)Ba4Sn2 octahedra, edges with two equivalent O(3)Ba2Y2Sn2 octahedra, edges with two equivalent O(1)Ba4Sn2 octahedra, and faces with four equivalent O(4)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent Sn(1) atoms to form distorted OBa2Y2Sn2 octahedra that share corners with two equivalent O(1)Ba4Sn2 octahedra, corners with four equivalent O(3)Ba2Y2Sn2 octahedra, corners with four equivalent O(4)Ba4Sn2 octahedra,  an edgeedge with one O(1)Ba4Sn2 octahedra, edges with three equivalent O(3)Ba2Y2Sn2 octahedra, and faces with two equivalent O(4)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Sn(1), and one Sn(2) atom to form distorted OBa4Sn2 octahedra that share corners with four equivalent O(3)Ba2Y2Sn2 octahedra, corners with four equivalent O(1)Ba4Sn2 octahedra, corners with five equivalent O(4)Ba4Sn2 octahedra, edges with four equivalent O(4)Ba4Sn2 octahedra, faces with two equivalent O(3)Ba2Y2Sn2 octahedra, and faces with two equivalent O(1)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the CIF file [CIF]
data_Ba2YSn3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.191
_cell_length_b   4.383
_cell_length_c   11.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.387
_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
  Ba  Ba0  1  0.500  0.500  0.327  1.0
  Ba  Ba1  1  0.500  0.500  0.673  1.0
  Y  Y2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.132  1.0
  Sn  Sn4  1  0.000  0.000  0.868  1.0
  Sn  Sn5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.122  1.0
  O  O8  1  0.500  0.000  0.878  1.0
  O  O9  1  0.000  0.500  0.123  1.0
  O  O10  1  0.000  0.500  0.877  1.0
  O  O11  1  0.000  0.000  0.305  1.0
  O  O12  1  0.000  0.000  0.695  1.0
[/CIF]
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