The crystal structure described by BaY2O4 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Y site, Y(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Y(2), and two equivalent Y(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1) and three equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing OBa2Y3 square pyramids. In the third O site, O(3) is bonded to two equivalent Ba(1), one Y(1), and two equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing OBa2Y3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Ba(1) and three equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Y3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaY2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.461
_cell_length_b   10.436
_cell_length_c   12.140
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.516
_cell_formula_units_Z   4
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  0.250  0.753  0.351  1.0
  Ba  Ba1  1  0.750  0.247  0.649  1.0
  Ba  Ba2  1  0.250  0.253  0.149  1.0
  Ba  Ba3  1  0.750  0.747  0.851  1.0
  Y  Y4  1  0.250  0.427  0.389  1.0
  Y  Y5  1  0.750  0.573  0.611  1.0
  Y  Y6  1  0.250  0.927  0.111  1.0
  Y  Y7  1  0.750  0.073  0.889  1.0
  Y  Y8  1  0.750  0.078  0.391  1.0
  Y  Y9  1  0.250  0.922  0.609  1.0
  Y  Y10  1  0.750  0.578  0.109  1.0
  Y  Y11  1  0.250  0.422  0.891  1.0
  O  O12  1  0.750  0.291  0.341  1.0
  O  O13  1  0.250  0.709  0.659  1.0
  O  O14  1  0.750  0.791  0.159  1.0
  O  O15  1  0.250  0.209  0.841  1.0
  O  O16  1  0.750  0.385  0.018  1.0
  O  O17  1  0.250  0.615  0.982  1.0
  O  O18  1  0.750  0.885  0.482  1.0
  O  O19  1  0.250  0.115  0.518  1.0
  O  O20  1  0.750  0.981  0.717  1.0
  O  O21  1  0.250  0.019  0.283  1.0
  O  O22  1  0.750  0.481  0.783  1.0
  O  O23  1  0.250  0.519  0.217  1.0
  O  O24  1  0.750  0.070  0.074  1.0
  O  O25  1  0.250  0.930  0.926  1.0
  O  O26  1  0.750  0.570  0.426  1.0
  O  O27  1  0.250  0.430  0.574  1.0
[/CIF]
.
The crystal structure described by BaY2O4 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Y site, Y(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Y(2), and two equivalent Y(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1) and three equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing OBa2Y3 square pyramids. In the third O site, O(3) is bonded to two equivalent Ba(1), one Y(1), and two equivalent Y(2) atoms to form a mixture of distorted corner and edge-sharing OBa2Y3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Ba(1) and three equivalent Y(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Y3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaY2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.461
_cell_length_b   10.436
_cell_length_c   12.140
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.516
_cell_formula_units_Z   4
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  0.250  0.753  0.351  1.0
  Ba  Ba1  1  0.750  0.247  0.649  1.0
  Ba  Ba2  1  0.250  0.253  0.149  1.0
  Ba  Ba3  1  0.750  0.747  0.851  1.0
  Y  Y4  1  0.250  0.427  0.389  1.0
  Y  Y5  1  0.750  0.573  0.611  1.0
  Y  Y6  1  0.250  0.927  0.111  1.0
  Y  Y7  1  0.750  0.073  0.889  1.0
  Y  Y8  1  0.750  0.078  0.391  1.0
  Y  Y9  1  0.250  0.922  0.609  1.0
  Y  Y10  1  0.750  0.578  0.109  1.0
  Y  Y11  1  0.250  0.422  0.891  1.0
  O  O12  1  0.750  0.291  0.341  1.0
  O  O13  1  0.250  0.709  0.659  1.0
  O  O14  1  0.750  0.791  0.159  1.0
  O  O15  1  0.250  0.209  0.841  1.0
  O  O16  1  0.750  0.385  0.018  1.0
  O  O17  1  0.250  0.615  0.982  1.0
  O  O18  1  0.750  0.885  0.482  1.0
  O  O19  1  0.250  0.115  0.518  1.0
  O  O20  1  0.750  0.981  0.717  1.0
  O  O21  1  0.250  0.019  0.283  1.0
  O  O22  1  0.750  0.481  0.783  1.0
  O  O23  1  0.250  0.519  0.217  1.0
  O  O24  1  0.750  0.070  0.074  1.0
  O  O25  1  0.250  0.930  0.926  1.0
  O  O26  1  0.750  0.570  0.426  1.0
  O  O27  1  0.250  0.430  0.574  1.0
[/CIF]
.