The material described by Bi2TiO5 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(3), and three equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ti(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ti(1), one Bi(1), and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ti(1), one Bi(2), and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ti(1), one Bi(1), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.912
_cell_length_b   11.232
_cell_length_c   10.987
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.810
_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
  Ti  Ti0  1  0.250  0.209  0.633  1.0
  Ti  Ti1  1  0.750  0.291  0.133  1.0
  Ti  Ti2  1  0.250  0.709  0.867  1.0
  Ti  Ti3  1  0.750  0.791  0.367  1.0
  Bi  Bi4  1  0.250  0.085  0.284  1.0
  Bi  Bi5  1  0.250  0.136  0.943  1.0
  Bi  Bi6  1  0.750  0.364  0.443  1.0
  Bi  Bi7  1  0.750  0.415  0.784  1.0
  Bi  Bi8  1  0.250  0.585  0.216  1.0
  Bi  Bi9  1  0.250  0.636  0.557  1.0
  Bi  Bi10  1  0.750  0.864  0.057  1.0
  Bi  Bi11  1  0.750  0.915  0.716  1.0
  O  O12  1  0.750  0.994  0.899  1.0
  O  O13  1  0.250  0.059  0.682  1.0
  O  O14  1  0.250  0.251  0.466  1.0
  O  O15  1  0.750  0.190  0.271  1.0
  O  O16  1  0.750  0.251  0.628  1.0
  O  O17  1  0.250  0.249  0.128  1.0
  O  O18  1  0.250  0.310  0.771  1.0
  O  O19  1  0.750  0.249  0.966  1.0
  O  O20  1  0.750  0.441  0.182  1.0
  O  O21  1  0.250  0.506  0.399  1.0
  O  O22  1  0.750  0.494  0.601  1.0
  O  O23  1  0.250  0.559  0.818  1.0
  O  O24  1  0.250  0.751  0.034  1.0
  O  O25  1  0.750  0.690  0.229  1.0
  O  O26  1  0.750  0.751  0.872  1.0
  O  O27  1  0.250  0.749  0.372  1.0
  O  O28  1  0.250  0.810  0.729  1.0
  O  O29  1  0.750  0.749  0.534  1.0
  O  O30  1  0.750  0.941  0.318  1.0
  O  O31  1  0.250  0.006  0.101  1.0
[/CIF]
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The material described by Bi2TiO5 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(3), and three equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ti(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ti(1), one Bi(1), and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ti(1), one Bi(2), and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ti(1), one Bi(1), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.912
_cell_length_b   11.232
_cell_length_c   10.987
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.810
_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
  Ti  Ti0  1  0.250  0.209  0.633  1.0
  Ti  Ti1  1  0.750  0.291  0.133  1.0
  Ti  Ti2  1  0.250  0.709  0.867  1.0
  Ti  Ti3  1  0.750  0.791  0.367  1.0
  Bi  Bi4  1  0.250  0.085  0.284  1.0
  Bi  Bi5  1  0.250  0.136  0.943  1.0
  Bi  Bi6  1  0.750  0.364  0.443  1.0
  Bi  Bi7  1  0.750  0.415  0.784  1.0
  Bi  Bi8  1  0.250  0.585  0.216  1.0
  Bi  Bi9  1  0.250  0.636  0.557  1.0
  Bi  Bi10  1  0.750  0.864  0.057  1.0
  Bi  Bi11  1  0.750  0.915  0.716  1.0
  O  O12  1  0.750  0.994  0.899  1.0
  O  O13  1  0.250  0.059  0.682  1.0
  O  O14  1  0.250  0.251  0.466  1.0
  O  O15  1  0.750  0.190  0.271  1.0
  O  O16  1  0.750  0.251  0.628  1.0
  O  O17  1  0.250  0.249  0.128  1.0
  O  O18  1  0.250  0.310  0.771  1.0
  O  O19  1  0.750  0.249  0.966  1.0
  O  O20  1  0.750  0.441  0.182  1.0
  O  O21  1  0.250  0.506  0.399  1.0
  O  O22  1  0.750  0.494  0.601  1.0
  O  O23  1  0.250  0.559  0.818  1.0
  O  O24  1  0.250  0.751  0.034  1.0
  O  O25  1  0.750  0.690  0.229  1.0
  O  O26  1  0.750  0.751  0.872  1.0
  O  O27  1  0.250  0.749  0.372  1.0
  O  O28  1  0.250  0.810  0.729  1.0
  O  O29  1  0.750  0.749  0.534  1.0
  O  O30  1  0.750  0.941  0.318  1.0
  O  O31  1  0.250  0.006  0.101  1.0
[/CIF]
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