The structure described by TaCuO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(7), and two equivalent O(4) atoms. In the second Ta site, Ta(2) is bonded in a tetrahedral geometry to one O(3), one O(5), one O(6), and one O(8) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(5), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(8), and two equivalent O(2) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ta(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ta(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ta(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ta(2) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Ta(1), one Ta(2), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ta(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ta(2) and one Cu(2) atom. is represented by the CIF card [CIF]
data_TaCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.998
_cell_length_b   6.502
_cell_length_c   11.737
_cell_angle_alpha   88.174
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.337
_cell_formula_units_Z   8
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  0.576  0.911  0.874  1.0
  Ta  Ta1  1  0.924  0.911  0.374  1.0
  Ta  Ta2  1  0.895  0.392  0.144  1.0
  Ta  Ta3  1  0.076  0.089  0.626  1.0
  Ta  Ta4  1  0.105  0.608  0.856  1.0
  Ta  Ta5  1  0.395  0.608  0.356  1.0
  Ta  Ta6  1  0.605  0.392  0.644  1.0
  Ta  Ta7  1  0.424  0.089  0.126  1.0
  Cu  Cu8  1  0.886  0.178  0.890  1.0
  Cu  Cu9  1  0.956  0.627  0.610  1.0
  Cu  Cu10  1  0.044  0.373  0.390  1.0
  Cu  Cu11  1  0.114  0.822  0.110  1.0
  Cu  Cu12  1  0.614  0.178  0.390  1.0
  Cu  Cu13  1  0.544  0.627  0.110  1.0
  Cu  Cu14  1  0.386  0.822  0.610  1.0
  Cu  Cu15  1  0.456  0.373  0.890  1.0
  O  O16  1  0.714  0.931  0.372  1.0
  O  O17  1  0.015  0.361  0.587  1.0
  O  O18  1  0.345  0.812  0.458  1.0
  O  O19  1  0.846  0.188  0.042  1.0
  O  O20  1  0.786  0.931  0.872  1.0
  O  O21  1  0.286  0.069  0.628  1.0
  O  O22  1  0.925  0.899  0.567  1.0
  O  O23  1  0.070  0.542  0.115  1.0
  O  O24  1  0.430  0.542  0.615  1.0
  O  O25  1  0.116  0.722  0.702  1.0
  O  O26  1  0.616  0.278  0.798  1.0
  O  O27  1  0.930  0.458  0.885  1.0
  O  O28  1  0.075  0.101  0.433  1.0
  O  O29  1  0.485  0.118  0.275  1.0
  O  O30  1  0.751  0.581  0.626  1.0
  O  O31  1  0.749  0.581  0.126  1.0
  O  O32  1  0.985  0.882  0.225  1.0
  O  O33  1  0.570  0.458  0.385  1.0
  O  O34  1  0.515  0.882  0.725  1.0
  O  O35  1  0.654  0.188  0.542  1.0
  O  O36  1  0.485  0.361  0.087  1.0
  O  O37  1  0.884  0.278  0.298  1.0
  O  O38  1  0.214  0.069  0.128  1.0
  O  O39  1  0.575  0.899  0.067  1.0
  O  O40  1  0.154  0.812  0.958  1.0
  O  O41  1  0.251  0.419  0.874  1.0
  O  O42  1  0.985  0.639  0.413  1.0
  O  O43  1  0.515  0.639  0.913  1.0
  O  O44  1  0.425  0.101  0.933  1.0
  O  O45  1  0.249  0.419  0.374  1.0
  O  O46  1  0.384  0.722  0.202  1.0
  O  O47  1  0.015  0.118  0.775  1.0
[/CIF]
.
The structure described by TaCuO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(7), and two equivalent O(4) atoms. In the second Ta site, Ta(2) is bonded in a tetrahedral geometry to one O(3), one O(5), one O(6), and one O(8) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(5), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(8), and two equivalent O(2) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ta(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ta(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ta(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ta(2) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Ta(1), one Ta(2), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ta(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ta(2) and one Cu(2) atom. is represented by the CIF card [CIF]
data_TaCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.998
_cell_length_b   6.502
_cell_length_c   11.737
_cell_angle_alpha   88.174
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.337
_cell_formula_units_Z   8
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  0.576  0.911  0.874  1.0
  Ta  Ta1  1  0.924  0.911  0.374  1.0
  Ta  Ta2  1  0.895  0.392  0.144  1.0
  Ta  Ta3  1  0.076  0.089  0.626  1.0
  Ta  Ta4  1  0.105  0.608  0.856  1.0
  Ta  Ta5  1  0.395  0.608  0.356  1.0
  Ta  Ta6  1  0.605  0.392  0.644  1.0
  Ta  Ta7  1  0.424  0.089  0.126  1.0
  Cu  Cu8  1  0.886  0.178  0.890  1.0
  Cu  Cu9  1  0.956  0.627  0.610  1.0
  Cu  Cu10  1  0.044  0.373  0.390  1.0
  Cu  Cu11  1  0.114  0.822  0.110  1.0
  Cu  Cu12  1  0.614  0.178  0.390  1.0
  Cu  Cu13  1  0.544  0.627  0.110  1.0
  Cu  Cu14  1  0.386  0.822  0.610  1.0
  Cu  Cu15  1  0.456  0.373  0.890  1.0
  O  O16  1  0.714  0.931  0.372  1.0
  O  O17  1  0.015  0.361  0.587  1.0
  O  O18  1  0.345  0.812  0.458  1.0
  O  O19  1  0.846  0.188  0.042  1.0
  O  O20  1  0.786  0.931  0.872  1.0
  O  O21  1  0.286  0.069  0.628  1.0
  O  O22  1  0.925  0.899  0.567  1.0
  O  O23  1  0.070  0.542  0.115  1.0
  O  O24  1  0.430  0.542  0.615  1.0
  O  O25  1  0.116  0.722  0.702  1.0
  O  O26  1  0.616  0.278  0.798  1.0
  O  O27  1  0.930  0.458  0.885  1.0
  O  O28  1  0.075  0.101  0.433  1.0
  O  O29  1  0.485  0.118  0.275  1.0
  O  O30  1  0.751  0.581  0.626  1.0
  O  O31  1  0.749  0.581  0.126  1.0
  O  O32  1  0.985  0.882  0.225  1.0
  O  O33  1  0.570  0.458  0.385  1.0
  O  O34  1  0.515  0.882  0.725  1.0
  O  O35  1  0.654  0.188  0.542  1.0
  O  O36  1  0.485  0.361  0.087  1.0
  O  O37  1  0.884  0.278  0.298  1.0
  O  O38  1  0.214  0.069  0.128  1.0
  O  O39  1  0.575  0.899  0.067  1.0
  O  O40  1  0.154  0.812  0.958  1.0
  O  O41  1  0.251  0.419  0.874  1.0
  O  O42  1  0.985  0.639  0.413  1.0
  O  O43  1  0.515  0.639  0.913  1.0
  O  O44  1  0.425  0.101  0.933  1.0
  O  O45  1  0.249  0.419  0.374  1.0
  O  O46  1  0.384  0.722  0.202  1.0
  O  O47  1  0.015  0.118  0.775  1.0
[/CIF]
.