The material structure described by Ta2InBiO8 crystallizes in the triclinic P-1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the second Ta site, Ta(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In(1) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(7), and two equivalent O(6) atoms. Bi(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(2), one In(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ta(1), one In(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded to one Ta(2), two equivalent In(1), and one Bi(1) atom to form distorted edge-sharing OTaIn2Bi tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ta(1), one In(1), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2InBiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.429
_cell_length_b   7.669
_cell_length_c   7.920
_cell_angle_alpha   78.679
_cell_angle_beta   89.084
_cell_angle_gamma   88.474
_symmetry_Int_Tables_number   1
_cell_volume   323.180
_cell_formula_units_Z   2
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
  Ta  Ta0  1  0.757  0.807  0.328  1.0
  Ta  Ta1  1  0.243  0.193  0.672  1.0
  Ta  Ta2  1  0.239  0.688  0.653  1.0
  Ta  Ta3  1  0.761  0.312  0.347  1.0
  In  In4  1  0.239  0.617  0.116  1.0
  In  In5  1  0.761  0.383  0.884  1.0
  Bi  Bi6  1  0.724  0.873  0.852  1.0
  Bi  Bi7  1  0.276  0.127  0.148  1.0
  O  O8  1  0.066  0.198  0.456  1.0
  O  O9  1  0.934  0.802  0.544  1.0
  O  O10  1  0.475  0.388  0.181  1.0
  O  O11  1  0.525  0.612  0.819  1.0
  O  O12  1  0.675  0.061  0.300  1.0
  O  O13  1  0.325  0.939  0.700  1.0
  O  O14  1  0.556  0.281  0.547  1.0
  O  O15  1  0.444  0.719  0.453  1.0
  O  O16  1  0.546  0.800  0.111  1.0
  O  O17  1  0.454  0.200  0.889  1.0
  O  O18  1  0.972  0.337  0.113  1.0
  O  O19  1  0.028  0.663  0.887  1.0
  O  O20  1  0.037  0.850  0.168  1.0
  O  O21  1  0.963  0.150  0.832  1.0
  O  O22  1  0.864  0.549  0.338  1.0
  O  O23  1  0.136  0.451  0.662  1.0
[/CIF]
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The material structure described by Ta2InBiO8 crystallizes in the triclinic P-1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the second Ta site, Ta(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In(1) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(7), and two equivalent O(6) atoms. Bi(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(2), one In(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ta(1), one In(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded to one Ta(2), two equivalent In(1), and one Bi(1) atom to form distorted edge-sharing OTaIn2Bi tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ta(1), one In(1), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2InBiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.429
_cell_length_b   7.669
_cell_length_c   7.920
_cell_angle_alpha   78.679
_cell_angle_beta   89.084
_cell_angle_gamma   88.474
_symmetry_Int_Tables_number   1
_cell_volume   323.180
_cell_formula_units_Z   2
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
  Ta  Ta0  1  0.757  0.807  0.328  1.0
  Ta  Ta1  1  0.243  0.193  0.672  1.0
  Ta  Ta2  1  0.239  0.688  0.653  1.0
  Ta  Ta3  1  0.761  0.312  0.347  1.0
  In  In4  1  0.239  0.617  0.116  1.0
  In  In5  1  0.761  0.383  0.884  1.0
  Bi  Bi6  1  0.724  0.873  0.852  1.0
  Bi  Bi7  1  0.276  0.127  0.148  1.0
  O  O8  1  0.066  0.198  0.456  1.0
  O  O9  1  0.934  0.802  0.544  1.0
  O  O10  1  0.475  0.388  0.181  1.0
  O  O11  1  0.525  0.612  0.819  1.0
  O  O12  1  0.675  0.061  0.300  1.0
  O  O13  1  0.325  0.939  0.700  1.0
  O  O14  1  0.556  0.281  0.547  1.0
  O  O15  1  0.444  0.719  0.453  1.0
  O  O16  1  0.546  0.800  0.111  1.0
  O  O17  1  0.454  0.200  0.889  1.0
  O  O18  1  0.972  0.337  0.113  1.0
  O  O19  1  0.028  0.663  0.887  1.0
  O  O20  1  0.037  0.850  0.168  1.0
  O  O21  1  0.963  0.150  0.832  1.0
  O  O22  1  0.864  0.549  0.338  1.0
  O  O23  1  0.136  0.451  0.662  1.0
[/CIF]
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