The crystal structure described by Ba2W3AlO7 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. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted see-saw-like geometry to 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. Al(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent W(2) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent W(1) atoms to form corner-sharing OBa2W2 tetrahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent W(1), and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one W(2) atom. is represented by the CIF card [CIF]
data_Ba2AlW3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.445
_cell_length_b   4.161
_cell_length_c   13.565
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.473
_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  0.810  1.0
  Ba  Ba1  1  0.500  0.500  0.190  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  W  W3  1  0.000  0.000  0.594  1.0
  W  W4  1  0.000  0.000  0.000  1.0
  W  W5  1  0.000  0.000  0.406  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.500  0.000  0.675  1.0
  O  O8  1  0.500  0.000  0.325  1.0
  O  O9  1  0.000  0.500  0.623  1.0
  O  O10  1  0.000  0.500  0.377  1.0
  O  O11  1  0.000  0.000  0.859  1.0
  O  O12  1  0.000  0.000  0.141  1.0
[/CIF]
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The crystal structure described by Ba2W3AlO7 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. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted see-saw-like geometry to 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. Al(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent W(2) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent W(1) atoms to form corner-sharing OBa2W2 tetrahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent W(1), and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one W(2) atom. is represented by the CIF card [CIF]
data_Ba2AlW3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.445
_cell_length_b   4.161
_cell_length_c   13.565
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.473
_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  0.810  1.0
  Ba  Ba1  1  0.500  0.500  0.190  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  W  W3  1  0.000  0.000  0.594  1.0
  W  W4  1  0.000  0.000  0.000  1.0
  W  W5  1  0.000  0.000  0.406  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.500  0.000  0.675  1.0
  O  O8  1  0.500  0.000  0.325  1.0
  O  O9  1  0.000  0.500  0.623  1.0
  O  O10  1  0.000  0.500  0.377  1.0
  O  O11  1  0.000  0.000  0.859  1.0
  O  O12  1  0.000  0.000  0.141  1.0
[/CIF]
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