The compound described by NdTaO4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one Ta(1) atom. is represented by the CIF card [CIF]
data_NdTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   5.523
_cell_length_c   6.686
_cell_angle_alpha   112.087
_cell_angle_beta   110.118
_cell_angle_gamma   95.541
_symmetry_Int_Tables_number   1
_cell_volume   159.248
_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
  Nd  Nd0  1  0.382  0.632  0.264  1.0
  Nd  Nd1  1  0.618  0.368  0.736  1.0
  Ta  Ta2  1  0.849  0.099  0.198  1.0
  Ta  Ta3  1  0.151  0.901  0.802  1.0
  O  O4  1  0.998  0.796  0.063  1.0
  O  O5  1  0.565  0.267  0.063  1.0
  O  O6  1  0.002  0.204  0.937  1.0
  O  O7  1  0.435  0.733  0.937  1.0
  O  O8  1  0.196  0.357  0.413  1.0
  O  O9  1  0.716  0.056  0.413  1.0
  O  O10  1  0.804  0.643  0.587  1.0
  O  O11  1  0.284  0.944  0.587  1.0
[/CIF]
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The compound described by NdTaO4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one Ta(1) atom. is represented by the CIF card [CIF]
data_NdTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   5.523
_cell_length_c   6.686
_cell_angle_alpha   112.087
_cell_angle_beta   110.118
_cell_angle_gamma   95.541
_symmetry_Int_Tables_number   1
_cell_volume   159.248
_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
  Nd  Nd0  1  0.382  0.632  0.264  1.0
  Nd  Nd1  1  0.618  0.368  0.736  1.0
  Ta  Ta2  1  0.849  0.099  0.198  1.0
  Ta  Ta3  1  0.151  0.901  0.802  1.0
  O  O4  1  0.998  0.796  0.063  1.0
  O  O5  1  0.565  0.267  0.063  1.0
  O  O6  1  0.002  0.204  0.937  1.0
  O  O7  1  0.435  0.733  0.937  1.0
  O  O8  1  0.196  0.357  0.413  1.0
  O  O9  1  0.716  0.056  0.413  1.0
  O  O10  1  0.804  0.643  0.587  1.0
  O  O11  1  0.284  0.944  0.587  1.0
[/CIF]
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