The material described by TaMnO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form 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 48-54°. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) 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 48-54°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Mn(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_TaMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.642
_cell_length_b   4.974
_cell_length_c   5.689
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.199
_symmetry_Int_Tables_number   1
_cell_volume   131.307
_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  0.250  0.158  1.0
  Mn  Mn1  1  0.000  0.750  0.842  1.0
  O  O2  1  0.773  0.571  0.123  1.0
  O  O3  1  0.227  0.429  0.877  1.0
  O  O4  1  0.227  0.929  0.123  1.0
  O  O5  1  0.773  0.071  0.877  1.0
  O  O6  1  0.723  0.074  0.386  1.0
  O  O7  1  0.277  0.926  0.614  1.0
  O  O8  1  0.277  0.426  0.386  1.0
  O  O9  1  0.723  0.574  0.614  1.0
  Ta  Ta10  1  0.500  0.250  0.669  1.0
  Ta  Ta11  1  0.500  0.750  0.331  1.0
[/CIF]
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The material described by TaMnO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form 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 48-54°. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) 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 48-54°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Mn(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_TaMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.642
_cell_length_b   4.974
_cell_length_c   5.689
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.199
_symmetry_Int_Tables_number   1
_cell_volume   131.307
_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  0.250  0.158  1.0
  Mn  Mn1  1  0.000  0.750  0.842  1.0
  O  O2  1  0.773  0.571  0.123  1.0
  O  O3  1  0.227  0.429  0.877  1.0
  O  O4  1  0.227  0.929  0.123  1.0
  O  O5  1  0.773  0.071  0.877  1.0
  O  O6  1  0.723  0.074  0.386  1.0
  O  O7  1  0.277  0.926  0.614  1.0
  O  O8  1  0.277  0.426  0.386  1.0
  O  O9  1  0.723  0.574  0.614  1.0
  Ta  Ta10  1  0.500  0.250  0.669  1.0
  Ta  Ta11  1  0.500  0.750  0.331  1.0
[/CIF]
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