The material structure described by CuTe2O5 is Antimony trioxide-derived structured and crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form edge-sharing CuO5 square pyramids. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(2), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Te(2) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Te(1) and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuTe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.502
_cell_length_b   6.975
_cell_length_c   7.653
_cell_angle_alpha   72.290
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.158
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.012  0.660  0.794  1.0
  Cu  Cu1  1  0.488  0.660  0.294  1.0
  Cu  Cu2  1  0.512  0.340  0.706  1.0
  Cu  Cu3  1  0.988  0.340  0.206  1.0
  Te  Te4  1  0.678  0.650  0.940  1.0
  Te  Te5  1  0.178  0.350  0.560  1.0
  Te  Te6  1  0.822  0.650  0.440  1.0
  Te  Te7  1  0.204  0.865  0.090  1.0
  Te  Te8  1  0.796  0.135  0.910  1.0
  Te  Te9  1  0.704  0.135  0.410  1.0
  Te  Te10  1  0.296  0.865  0.590  1.0
  Te  Te11  1  0.322  0.350  0.060  1.0
  O  O12  1  0.126  0.382  0.008  1.0
  O  O13  1  0.146  0.678  0.591  1.0
  O  O14  1  0.891  0.506  0.678  1.0
  O  O15  1  0.866  0.138  0.146  1.0
  O  O16  1  0.634  0.138  0.646  1.0
  O  O17  1  0.609  0.506  0.178  1.0
  O  O18  1  0.366  0.862  0.354  1.0
  O  O19  1  0.391  0.494  0.822  1.0
  O  O20  1  0.134  0.862  0.854  1.0
  O  O21  1  0.854  0.322  0.409  1.0
  O  O22  1  0.818  0.900  0.531  1.0
  O  O23  1  0.182  0.100  0.469  1.0
  O  O24  1  0.318  0.100  0.969  1.0
  O  O25  1  0.374  0.382  0.508  1.0
  O  O26  1  0.646  0.322  0.909  1.0
  O  O27  1  0.354  0.678  0.091  1.0
  O  O28  1  0.109  0.494  0.322  1.0
  O  O29  1  0.626  0.618  0.492  1.0
  O  O30  1  0.682  0.900  0.031  1.0
  O  O31  1  0.874  0.618  0.992  1.0
[/CIF]
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The material structure described by CuTe2O5 is Antimony trioxide-derived structured and crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form edge-sharing CuO5 square pyramids. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(2), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Te(2) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Te(1) and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuTe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.502
_cell_length_b   6.975
_cell_length_c   7.653
_cell_angle_alpha   72.290
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.158
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.012  0.660  0.794  1.0
  Cu  Cu1  1  0.488  0.660  0.294  1.0
  Cu  Cu2  1  0.512  0.340  0.706  1.0
  Cu  Cu3  1  0.988  0.340  0.206  1.0
  Te  Te4  1  0.678  0.650  0.940  1.0
  Te  Te5  1  0.178  0.350  0.560  1.0
  Te  Te6  1  0.822  0.650  0.440  1.0
  Te  Te7  1  0.204  0.865  0.090  1.0
  Te  Te8  1  0.796  0.135  0.910  1.0
  Te  Te9  1  0.704  0.135  0.410  1.0
  Te  Te10  1  0.296  0.865  0.590  1.0
  Te  Te11  1  0.322  0.350  0.060  1.0
  O  O12  1  0.126  0.382  0.008  1.0
  O  O13  1  0.146  0.678  0.591  1.0
  O  O14  1  0.891  0.506  0.678  1.0
  O  O15  1  0.866  0.138  0.146  1.0
  O  O16  1  0.634  0.138  0.646  1.0
  O  O17  1  0.609  0.506  0.178  1.0
  O  O18  1  0.366  0.862  0.354  1.0
  O  O19  1  0.391  0.494  0.822  1.0
  O  O20  1  0.134  0.862  0.854  1.0
  O  O21  1  0.854  0.322  0.409  1.0
  O  O22  1  0.818  0.900  0.531  1.0
  O  O23  1  0.182  0.100  0.469  1.0
  O  O24  1  0.318  0.100  0.969  1.0
  O  O25  1  0.374  0.382  0.508  1.0
  O  O26  1  0.646  0.322  0.909  1.0
  O  O27  1  0.354  0.678  0.091  1.0
  O  O28  1  0.109  0.494  0.322  1.0
  O  O29  1  0.626  0.618  0.492  1.0
  O  O30  1  0.682  0.900  0.031  1.0
  O  O31  1  0.874  0.618  0.992  1.0
[/CIF]
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