The compound described by Ba2Bi6O11 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to one O(5) and four equivalent O(6) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), and three equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), and three equivalent O(4) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(3), one O(6), and three equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Bi(2) and three equivalent Bi(1) atoms to form distorted corner-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Bi(1) and one Bi(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Bi(1) and three equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to one Ba(1) and three equivalent Bi(3) atoms to form corner-sharing OBaBi3 tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Bi(3) atom. is represented by the CIF card [CIF]
data_Ba2Bi6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.013
_cell_length_b   4.013
_cell_length_c   23.723
_cell_angle_alpha   88.031
_cell_angle_beta   88.031
_cell_angle_gamma   67.936
_symmetry_Int_Tables_number   1
_cell_volume   353.807
_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  0.798  0.798  0.564  1.0
  Ba  Ba1  1  0.202  0.202  0.436  1.0
  Bi  Bi2  1  0.218  0.218  0.179  1.0
  Bi  Bi3  1  0.736  0.736  0.063  1.0
  Bi  Bi4  1  0.236  0.236  0.686  1.0
  Bi  Bi5  1  0.264  0.264  0.937  1.0
  Bi  Bi6  1  0.782  0.782  0.821  1.0
  Bi  Bi7  1  0.764  0.764  0.314  1.0
  O  O8  1  0.618  0.618  0.152  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.939  0.939  0.236  1.0
  O  O11  1  0.147  0.147  0.088  1.0
  O  O12  1  0.853  0.853  0.912  1.0
  O  O13  1  0.382  0.382  0.848  1.0
  O  O14  1  0.061  0.061  0.764  1.0
  O  O15  1  0.632  0.632  0.670  1.0
  O  O16  1  0.162  0.162  0.577  1.0
  O  O17  1  0.838  0.838  0.423  1.0
  O  O18  1  0.368  0.368  0.330  1.0
[/CIF]
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The compound described by Ba2Bi6O11 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to one O(5) and four equivalent O(6) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), and three equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), and three equivalent O(4) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(3), one O(6), and three equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Bi(2) and three equivalent Bi(1) atoms to form distorted corner-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Bi(1) and one Bi(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Bi(1) and three equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to one Ba(1) and three equivalent Bi(3) atoms to form corner-sharing OBaBi3 tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Bi(3) atom. is represented by the CIF card [CIF]
data_Ba2Bi6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.013
_cell_length_b   4.013
_cell_length_c   23.723
_cell_angle_alpha   88.031
_cell_angle_beta   88.031
_cell_angle_gamma   67.936
_symmetry_Int_Tables_number   1
_cell_volume   353.807
_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  0.798  0.798  0.564  1.0
  Ba  Ba1  1  0.202  0.202  0.436  1.0
  Bi  Bi2  1  0.218  0.218  0.179  1.0
  Bi  Bi3  1  0.736  0.736  0.063  1.0
  Bi  Bi4  1  0.236  0.236  0.686  1.0
  Bi  Bi5  1  0.264  0.264  0.937  1.0
  Bi  Bi6  1  0.782  0.782  0.821  1.0
  Bi  Bi7  1  0.764  0.764  0.314  1.0
  O  O8  1  0.618  0.618  0.152  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.939  0.939  0.236  1.0
  O  O11  1  0.147  0.147  0.088  1.0
  O  O12  1  0.853  0.853  0.912  1.0
  O  O13  1  0.382  0.382  0.848  1.0
  O  O14  1  0.061  0.061  0.764  1.0
  O  O15  1  0.632  0.632  0.670  1.0
  O  O16  1  0.162  0.162  0.577  1.0
  O  O17  1  0.838  0.838  0.423  1.0
  O  O18  1  0.368  0.368  0.330  1.0
[/CIF]
.