The material structure described by Ba2As6O11 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one As(5), one O(1), one O(10), one O(11), one O(5), one O(6), one O(7), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(7), and one O(8) atom. There are six inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to one O(5), one O(6), and one O(9) atom. In the second As site, As(2) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(7) atom. In the third As site, As(3) is bonded in a water-like geometry to one O(10) and one O(3) atom. In the fourth As site, As(4) is bonded in a water-like geometry to one O(2) and one O(8) atom. In the fifth As site, As(5) is bonded in a 3-coordinate geometry to one Ba(1), one O(4), one O(6), and one O(8) atom. In the sixth As site, As(6) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(9) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one As(6), and one O(11) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one As(4), and one As(6) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one As(2) and one As(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ba(2) and one As(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one As(1), and one As(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one As(1), and one As(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one As(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(2), one As(4), and one As(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one As(1), and one As(6) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one As(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1) and one O(1) atom. is represented by the CIF file [CIF]
data_Ba2As6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.022
_cell_length_b   7.034
_cell_length_c   7.497
_cell_angle_alpha   81.670
_cell_angle_beta   73.883
_cell_angle_gamma   78.029
_symmetry_Int_Tables_number   1
_cell_volume   346.496
_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  0.719  0.815  0.595  1.0
  Ba  Ba1  1  0.497  0.313  0.001  1.0
  As  As2  1  0.133  0.448  0.408  1.0
  As  As3  1  0.227  0.697  0.687  1.0
  As  As4  1  0.873  0.864  0.051  1.0
  As  As5  1  0.071  0.138  0.975  1.0
  As  As6  1  0.727  0.305  0.360  1.0
  As  As7  1  0.355  0.824  0.217  1.0
  O  O8  1  0.461  0.928  0.379  1.0
  O  O9  1  0.218  0.073  0.155  1.0
  O  O10  1  0.075  0.681  0.931  1.0
  O  O11  1  0.515  0.460  0.315  1.0
  O  O12  1  0.093  0.489  0.644  1.0
  O  O13  1  0.857  0.475  0.427  1.0
  O  O14  1  0.453  0.577  0.739  1.0
  O  O15  1  0.858  0.308  0.102  1.0
  O  O16  1  0.122  0.725  0.324  1.0
  O  O17  1  0.734  0.981  0.885  1.0
  O  O18  1  0.360  0.024  0.552  1.0
[/CIF]
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The material structure described by Ba2As6O11 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one As(5), one O(1), one O(10), one O(11), one O(5), one O(6), one O(7), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(7), and one O(8) atom. There are six inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to one O(5), one O(6), and one O(9) atom. In the second As site, As(2) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(7) atom. In the third As site, As(3) is bonded in a water-like geometry to one O(10) and one O(3) atom. In the fourth As site, As(4) is bonded in a water-like geometry to one O(2) and one O(8) atom. In the fifth As site, As(5) is bonded in a 3-coordinate geometry to one Ba(1), one O(4), one O(6), and one O(8) atom. In the sixth As site, As(6) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(9) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one As(6), and one O(11) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one As(4), and one As(6) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one As(2) and one As(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ba(2) and one As(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one As(1), and one As(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one As(1), and one As(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one As(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(2), one As(4), and one As(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one As(1), and one As(6) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one As(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1) and one O(1) atom. is represented by the CIF file [CIF]
data_Ba2As6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.022
_cell_length_b   7.034
_cell_length_c   7.497
_cell_angle_alpha   81.670
_cell_angle_beta   73.883
_cell_angle_gamma   78.029
_symmetry_Int_Tables_number   1
_cell_volume   346.496
_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  0.719  0.815  0.595  1.0
  Ba  Ba1  1  0.497  0.313  0.001  1.0
  As  As2  1  0.133  0.448  0.408  1.0
  As  As3  1  0.227  0.697  0.687  1.0
  As  As4  1  0.873  0.864  0.051  1.0
  As  As5  1  0.071  0.138  0.975  1.0
  As  As6  1  0.727  0.305  0.360  1.0
  As  As7  1  0.355  0.824  0.217  1.0
  O  O8  1  0.461  0.928  0.379  1.0
  O  O9  1  0.218  0.073  0.155  1.0
  O  O10  1  0.075  0.681  0.931  1.0
  O  O11  1  0.515  0.460  0.315  1.0
  O  O12  1  0.093  0.489  0.644  1.0
  O  O13  1  0.857  0.475  0.427  1.0
  O  O14  1  0.453  0.577  0.739  1.0
  O  O15  1  0.858  0.308  0.102  1.0
  O  O16  1  0.122  0.725  0.324  1.0
  O  O17  1  0.734  0.981  0.885  1.0
  O  O18  1  0.360  0.024  0.552  1.0
[/CIF]
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