The compound described by Nd2CuTe2(SO7)2 crystallizes in the triclinic P-1 space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms. Cu(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra. Te(1) is bonded in a 3-coordinate geometry to one O(5), one O(6), and one O(7) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Nd(1) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cu(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd(1) and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Cu(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nd(1), one Cu(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Nd2CuTe2(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.220
_cell_length_b   8.006
_cell_length_c   8.299
_cell_angle_alpha   61.814
_cell_angle_beta   74.140
_cell_angle_gamma   85.344
_symmetry_Int_Tables_number   1
_cell_volume   293.587
_cell_formula_units_Z   1
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  0.933  0.751  0.981  1.0
  Nd  Nd1  1  0.067  0.249  0.019  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Te  Te3  1  0.495  0.733  0.646  1.0
  Te  Te4  1  0.505  0.267  0.354  1.0
  S  S5  1  0.256  0.744  0.258  1.0
  S  S6  1  0.744  0.256  0.742  1.0
  O  O7  1  0.156  0.583  0.247  1.0
  O  O8  1  0.844  0.417  0.753  1.0
  O  O9  1  0.135  0.744  0.438  1.0
  O  O10  1  0.865  0.256  0.562  1.0
  O  O11  1  0.547  0.742  0.224  1.0
  O  O12  1  0.453  0.258  0.776  1.0
  O  O13  1  0.180  0.916  0.100  1.0
  O  O14  1  0.820  0.084  0.900  1.0
  O  O15  1  0.266  0.563  0.881  1.0
  O  O16  1  0.734  0.437  0.119  1.0
  O  O17  1  0.730  0.815  0.735  1.0
  O  O18  1  0.270  0.185  0.265  1.0
  O  O19  1  0.257  0.929  0.650  1.0
  O  O20  1  0.743  0.071  0.350  1.0
[/CIF]
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The compound described by Nd2CuTe2(SO7)2 crystallizes in the triclinic P-1 space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms. Cu(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra. Te(1) is bonded in a 3-coordinate geometry to one O(5), one O(6), and one O(7) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Nd(1) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cu(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd(1) and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Cu(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nd(1), one Cu(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Nd2CuTe2(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.220
_cell_length_b   8.006
_cell_length_c   8.299
_cell_angle_alpha   61.814
_cell_angle_beta   74.140
_cell_angle_gamma   85.344
_symmetry_Int_Tables_number   1
_cell_volume   293.587
_cell_formula_units_Z   1
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  0.933  0.751  0.981  1.0
  Nd  Nd1  1  0.067  0.249  0.019  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Te  Te3  1  0.495  0.733  0.646  1.0
  Te  Te4  1  0.505  0.267  0.354  1.0
  S  S5  1  0.256  0.744  0.258  1.0
  S  S6  1  0.744  0.256  0.742  1.0
  O  O7  1  0.156  0.583  0.247  1.0
  O  O8  1  0.844  0.417  0.753  1.0
  O  O9  1  0.135  0.744  0.438  1.0
  O  O10  1  0.865  0.256  0.562  1.0
  O  O11  1  0.547  0.742  0.224  1.0
  O  O12  1  0.453  0.258  0.776  1.0
  O  O13  1  0.180  0.916  0.100  1.0
  O  O14  1  0.820  0.084  0.900  1.0
  O  O15  1  0.266  0.563  0.881  1.0
  O  O16  1  0.734  0.437  0.119  1.0
  O  O17  1  0.730  0.815  0.735  1.0
  O  O18  1  0.270  0.185  0.265  1.0
  O  O19  1  0.257  0.929  0.650  1.0
  O  O20  1  0.743  0.071  0.350  1.0
[/CIF]
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