The crystal 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 10-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(5), one O(7), one O(9), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. There are six inequivalent As sites. In the first As site, As(1) is bonded in a distorted T-shaped geometry to one O(1), one O(5), and one O(9) atom. In the second As site, As(2) is bonded in a distorted T-shaped geometry to one O(10), one O(2), and one O(6) atom. In the third As site, As(3) is bonded in a distorted T-shaped geometry to one O(11), one O(4), and one O(5) atom. In the fourth As site, As(4) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(6) atom. In the fifth As site, As(5) is bonded in a distorted T-shaped geometry to one O(1), one O(7), and one O(9) atom. In the sixth As site, As(6) is bonded in a 3-coordinate geometry to one O(10), one O(2), and one O(8) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one As(1), and one As(5) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one As(2), and one As(6) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(2) and one As(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one As(3), and one As(4) 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(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one As(2), and one As(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one As(5) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one As(6) atom. In the ninth O site, O(9) is bonded to one Ba(1), one Ba(2), one As(1), and one As(5) atom to form distorted edge-sharing OBa2As2 tetrahedra. In the tenth O site, O(10) is bonded to one Ba(1), one Ba(2), one As(2), and one As(6) atom to form distorted edge-sharing OBa2As2 tetrahedra. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one As(3) atom. is represented by the CIF file [CIF]
data_Ba2As6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.286
_cell_length_b   7.117
_cell_length_c   9.081
_cell_angle_alpha   71.254
_cell_angle_beta   86.636
_cell_angle_gamma   82.837
_symmetry_Int_Tables_number   1
_cell_volume   320.907
_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  0.221  0.318  0.431  1.0
  Ba  Ba1  1  0.753  0.705  0.565  1.0
  As  As2  1  0.732  0.132  0.180  1.0
  As  As3  1  0.253  0.882  0.834  1.0
  As  As4  1  0.789  0.602  0.107  1.0
  As  As5  1  0.245  0.402  0.913  1.0
  As  As6  1  0.256  0.870  0.270  1.0
  As  As7  1  0.723  0.141  0.748  1.0
  O  O8  1  0.986  0.037  0.319  1.0
  O  O9  1  0.991  0.968  0.700  1.0
  O  O10  1  1.000  0.403  0.800  1.0
  O  O11  1  0.101  0.470  0.080  1.0
  O  O12  1  0.654  0.367  0.216  1.0
  O  O13  1  0.349  0.649  0.801  1.0
  O  O14  1  0.276  0.690  0.446  1.0
  O  O15  1  0.713  0.322  0.572  1.0
  O  O16  1  0.488  0.025  0.316  1.0
  O  O17  1  0.477  0.005  0.690  1.0
  O  O18  1  0.864  0.664  0.263  1.0
[/CIF]
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The crystal 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 10-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(5), one O(7), one O(9), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. There are six inequivalent As sites. In the first As site, As(1) is bonded in a distorted T-shaped geometry to one O(1), one O(5), and one O(9) atom. In the second As site, As(2) is bonded in a distorted T-shaped geometry to one O(10), one O(2), and one O(6) atom. In the third As site, As(3) is bonded in a distorted T-shaped geometry to one O(11), one O(4), and one O(5) atom. In the fourth As site, As(4) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(6) atom. In the fifth As site, As(5) is bonded in a distorted T-shaped geometry to one O(1), one O(7), and one O(9) atom. In the sixth As site, As(6) is bonded in a 3-coordinate geometry to one O(10), one O(2), and one O(8) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one As(1), and one As(5) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(2), one As(2), and one As(6) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(2) and one As(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one As(3), and one As(4) 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(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one As(2), and one As(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one As(5) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one As(6) atom. In the ninth O site, O(9) is bonded to one Ba(1), one Ba(2), one As(1), and one As(5) atom to form distorted edge-sharing OBa2As2 tetrahedra. In the tenth O site, O(10) is bonded to one Ba(1), one Ba(2), one As(2), and one As(6) atom to form distorted edge-sharing OBa2As2 tetrahedra. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one As(3) atom. is represented by the CIF file [CIF]
data_Ba2As6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.286
_cell_length_b   7.117
_cell_length_c   9.081
_cell_angle_alpha   71.254
_cell_angle_beta   86.636
_cell_angle_gamma   82.837
_symmetry_Int_Tables_number   1
_cell_volume   320.907
_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  0.221  0.318  0.431  1.0
  Ba  Ba1  1  0.753  0.705  0.565  1.0
  As  As2  1  0.732  0.132  0.180  1.0
  As  As3  1  0.253  0.882  0.834  1.0
  As  As4  1  0.789  0.602  0.107  1.0
  As  As5  1  0.245  0.402  0.913  1.0
  As  As6  1  0.256  0.870  0.270  1.0
  As  As7  1  0.723  0.141  0.748  1.0
  O  O8  1  0.986  0.037  0.319  1.0
  O  O9  1  0.991  0.968  0.700  1.0
  O  O10  1  1.000  0.403  0.800  1.0
  O  O11  1  0.101  0.470  0.080  1.0
  O  O12  1  0.654  0.367  0.216  1.0
  O  O13  1  0.349  0.649  0.801  1.0
  O  O14  1  0.276  0.690  0.446  1.0
  O  O15  1  0.713  0.322  0.572  1.0
  O  O16  1  0.488  0.025  0.316  1.0
  O  O17  1  0.477  0.005  0.690  1.0
  O  O18  1  0.864  0.664  0.263  1.0
[/CIF]
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