The material structure described by Ba2YW3O7 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded in a distorted q6 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 W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second W site, W(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 W(2) atoms to form OBa4W2 octahedra that share corners with two equivalent O(1)Ba4W2 octahedra, corners with four equivalent O(3)Ba2Y2W2 octahedra, corners with eight equivalent O(2)Ba2Y2W2 octahedra, corners with eight equivalent O(4)Ba4W2 octahedra, edges with two equivalent O(3)Ba2Y2W2 octahedra, edges with two equivalent O(1)Ba4W2 octahedra, and faces with four equivalent O(4)Ba4W2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent W(1) atoms to form distorted OBa2Y2W2 octahedra that share corners with four equivalent O(2)Ba2Y2W2 octahedra, corners with four equivalent O(3)Ba2Y2W2 octahedra, corners with four equivalent O(1)Ba4W2 octahedra, corners with four equivalent O(4)Ba4W2 octahedra, edges with three equivalent O(2)Ba2Y2W2 octahedra, faces with two equivalent O(4)Ba4W2 octahedra, and faces with four equivalent O(3)Ba2Y2W2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent W(1) atoms to form distorted OBa2Y2W2 octahedra that share corners with two equivalent O(1)Ba4W2 octahedra, corners with four equivalent O(2)Ba2Y2W2 octahedra, corners with four equivalent O(3)Ba2Y2W2 octahedra, corners with four equivalent O(4)Ba4W2 octahedra,  an edgeedge with one O(1)Ba4W2 octahedra, edges with three equivalent O(3)Ba2Y2W2 octahedra, faces with two equivalent O(4)Ba4W2 octahedra, and faces with four equivalent O(2)Ba2Y2W2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one W(1), and one W(2) atom to form distorted OBa4W2 octahedra that share corners with four equivalent O(2)Ba2Y2W2 octahedra, corners with four equivalent O(3)Ba2Y2W2 octahedra, corners with four equivalent O(1)Ba4W2 octahedra, corners with five equivalent O(4)Ba4W2 octahedra, edges with four equivalent O(4)Ba4W2 octahedra, faces with two equivalent O(2)Ba2Y2W2 octahedra, faces with two equivalent O(3)Ba2Y2W2 octahedra, and faces with two equivalent O(1)Ba4W2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF card [CIF]
data_Ba2YW3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.086
_cell_length_b   4.207
_cell_length_c   11.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.998
_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  0.316  1.0
  Ba  Ba1  1  0.500  0.500  0.684  1.0
  Y  Y2  1  0.500  0.500  0.000  1.0
  W  W3  1  0.000  0.000  0.117  1.0
  W  W4  1  0.000  0.000  0.883  1.0
  W  W5  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  0.152  1.0
  O  O8  1  0.500  0.000  0.848  1.0
  O  O9  1  0.000  0.500  0.132  1.0
  O  O10  1  0.000  0.500  0.868  1.0
  O  O11  1  0.000  0.000  0.338  1.0
  O  O12  1  0.000  0.000  0.662  1.0
[/CIF]
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The material structure described by Ba2YW3O7 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded in a distorted q6 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 W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second W site, W(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 W(2) atoms to form OBa4W2 octahedra that share corners with two equivalent O(1)Ba4W2 octahedra, corners with four equivalent O(3)Ba2Y2W2 octahedra, corners with eight equivalent O(2)Ba2Y2W2 octahedra, corners with eight equivalent O(4)Ba4W2 octahedra, edges with two equivalent O(3)Ba2Y2W2 octahedra, edges with two equivalent O(1)Ba4W2 octahedra, and faces with four equivalent O(4)Ba4W2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent W(1) atoms to form distorted OBa2Y2W2 octahedra that share corners with four equivalent O(2)Ba2Y2W2 octahedra, corners with four equivalent O(3)Ba2Y2W2 octahedra, corners with four equivalent O(1)Ba4W2 octahedra, corners with four equivalent O(4)Ba4W2 octahedra, edges with three equivalent O(2)Ba2Y2W2 octahedra, faces with two equivalent O(4)Ba4W2 octahedra, and faces with four equivalent O(3)Ba2Y2W2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent W(1) atoms to form distorted OBa2Y2W2 octahedra that share corners with two equivalent O(1)Ba4W2 octahedra, corners with four equivalent O(2)Ba2Y2W2 octahedra, corners with four equivalent O(3)Ba2Y2W2 octahedra, corners with four equivalent O(4)Ba4W2 octahedra,  an edgeedge with one O(1)Ba4W2 octahedra, edges with three equivalent O(3)Ba2Y2W2 octahedra, faces with two equivalent O(4)Ba4W2 octahedra, and faces with four equivalent O(2)Ba2Y2W2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one W(1), and one W(2) atom to form distorted OBa4W2 octahedra that share corners with four equivalent O(2)Ba2Y2W2 octahedra, corners with four equivalent O(3)Ba2Y2W2 octahedra, corners with four equivalent O(1)Ba4W2 octahedra, corners with five equivalent O(4)Ba4W2 octahedra, edges with four equivalent O(4)Ba4W2 octahedra, faces with two equivalent O(2)Ba2Y2W2 octahedra, faces with two equivalent O(3)Ba2Y2W2 octahedra, and faces with two equivalent O(1)Ba4W2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF card [CIF]
data_Ba2YW3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.086
_cell_length_b   4.207
_cell_length_c   11.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.998
_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  0.316  1.0
  Ba  Ba1  1  0.500  0.500  0.684  1.0
  Y  Y2  1  0.500  0.500  0.000  1.0
  W  W3  1  0.000  0.000  0.117  1.0
  W  W4  1  0.000  0.000  0.883  1.0
  W  W5  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  0.152  1.0
  O  O8  1  0.500  0.000  0.848  1.0
  O  O9  1  0.000  0.500  0.132  1.0
  O  O10  1  0.000  0.500  0.868  1.0
  O  O11  1  0.000  0.000  0.338  1.0
  O  O12  1  0.000  0.000  0.662  1.0
[/CIF]
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