The material described by CsTaOB2O5 crystallizes in the orthorhombic Pmn2_1 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 1°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cs(1), one Ta(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Ta(1), and one B(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_CsTa(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.968
_cell_length_b   7.658
_cell_length_c   9.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   301.347
_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
  Cs  Cs0  1  0.480  0.000  0.386  1.0
  Cs  Cs1  1  0.520  0.500  0.886  1.0
  Ta  Ta2  1  0.066  0.000  0.774  1.0
  Ta  Ta3  1  0.934  0.500  0.274  1.0
  B  B4  1  0.006  0.337  0.562  1.0
  B  B5  1  0.994  0.163  0.062  1.0
  B  B6  1  0.994  0.837  0.062  1.0
  B  B7  1  0.006  0.663  0.562  1.0
  O  O8  1  0.039  0.192  0.640  1.0
  O  O9  1  0.961  0.308  0.140  1.0
  O  O10  1  0.961  0.692  0.140  1.0
  O  O11  1  0.039  0.808  0.640  1.0
  O  O12  1  0.036  0.824  0.926  1.0
  O  O13  1  0.964  0.676  0.426  1.0
  O  O14  1  0.964  0.324  0.426  1.0
  O  O15  1  0.036  0.176  0.926  1.0
  O  O16  1  0.540  0.000  0.772  1.0
  O  O17  1  0.460  0.500  0.272  1.0
  O  O18  1  0.979  0.000  0.128  1.0
  O  O19  1  0.021  0.500  0.628  1.0
[/CIF]
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The material described by CsTaOB2O5 crystallizes in the orthorhombic Pmn2_1 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 1°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cs(1), one Ta(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Ta(1), and one B(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_CsTa(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.968
_cell_length_b   7.658
_cell_length_c   9.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   301.347
_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
  Cs  Cs0  1  0.480  0.000  0.386  1.0
  Cs  Cs1  1  0.520  0.500  0.886  1.0
  Ta  Ta2  1  0.066  0.000  0.774  1.0
  Ta  Ta3  1  0.934  0.500  0.274  1.0
  B  B4  1  0.006  0.337  0.562  1.0
  B  B5  1  0.994  0.163  0.062  1.0
  B  B6  1  0.994  0.837  0.062  1.0
  B  B7  1  0.006  0.663  0.562  1.0
  O  O8  1  0.039  0.192  0.640  1.0
  O  O9  1  0.961  0.308  0.140  1.0
  O  O10  1  0.961  0.692  0.140  1.0
  O  O11  1  0.039  0.808  0.640  1.0
  O  O12  1  0.036  0.824  0.926  1.0
  O  O13  1  0.964  0.676  0.426  1.0
  O  O14  1  0.964  0.324  0.426  1.0
  O  O15  1  0.036  0.176  0.926  1.0
  O  O16  1  0.540  0.000  0.772  1.0
  O  O17  1  0.460  0.500  0.272  1.0
  O  O18  1  0.979  0.000  0.128  1.0
  O  O19  1  0.021  0.500  0.628  1.0
[/CIF]
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