The structure described by TaMnO4 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted TaO6 octahedra that share corners with eight equivalent Mn(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.654
_cell_length_b   4.999
_cell_length_c   5.702
_cell_angle_alpha   92.937
_cell_angle_beta   93.762
_cell_angle_gamma   88.466
_symmetry_Int_Tables_number   1
_cell_volume   132.170
_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
  Mn  Mn0  1  0.000  0.747  0.156  1.0
  Mn  Mn1  1  1.000  0.253  0.844  1.0
  O  O2  1  0.226  0.418  0.112  1.0
  O  O3  1  0.774  0.582  0.888  1.0
  O  O4  1  0.769  0.064  0.132  1.0
  O  O5  1  0.231  0.936  0.868  1.0
  O  O6  1  0.274  0.919  0.379  1.0
  O  O7  1  0.726  0.081  0.621  1.0
  O  O8  1  0.721  0.569  0.396  1.0
  O  O9  1  0.279  0.431  0.604  1.0
  Ta  Ta10  1  0.491  0.753  0.670  1.0
  Ta  Ta11  1  0.509  0.247  0.330  1.0
[/CIF]
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The structure described by TaMnO4 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted TaO6 octahedra that share corners with eight equivalent Mn(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.654
_cell_length_b   4.999
_cell_length_c   5.702
_cell_angle_alpha   92.937
_cell_angle_beta   93.762
_cell_angle_gamma   88.466
_symmetry_Int_Tables_number   1
_cell_volume   132.170
_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
  Mn  Mn0  1  0.000  0.747  0.156  1.0
  Mn  Mn1  1  1.000  0.253  0.844  1.0
  O  O2  1  0.226  0.418  0.112  1.0
  O  O3  1  0.774  0.582  0.888  1.0
  O  O4  1  0.769  0.064  0.132  1.0
  O  O5  1  0.231  0.936  0.868  1.0
  O  O6  1  0.274  0.919  0.379  1.0
  O  O7  1  0.726  0.081  0.621  1.0
  O  O8  1  0.721  0.569  0.396  1.0
  O  O9  1  0.279  0.431  0.604  1.0
  Ta  Ta10  1  0.491  0.753  0.670  1.0
  Ta  Ta11  1  0.509  0.247  0.330  1.0
[/CIF]
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