The material structure described by Tm2CuO4 crystallizes in the monoclinic P2_1/c space group. Tm(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Tm(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Tm(1) atoms to form a mixture of corner and edge-sharing OTm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.702
_cell_length_b   5.484
_cell_length_c   6.136
_cell_angle_alpha   109.150
_cell_angle_beta   103.479
_cell_angle_gamma   44.620
_symmetry_Int_Tables_number   1
_cell_volume   171.956
_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
  Tm  Tm0  1  0.020  0.657  0.311  1.0
  Tm  Tm1  1  0.520  0.303  0.689  1.0
  Tm  Tm2  1  0.480  0.697  0.311  1.0
  Tm  Tm3  1  0.980  0.343  0.689  1.0
  Cu  Cu4  1  0.000  1.000  1.000  1.0
  Cu  Cu5  1  0.500  1.000  0.000  1.0
  O  O6  1  0.195  0.122  0.033  1.0
  O  O7  1  0.252  0.252  0.526  1.0
  O  O8  1  0.305  0.512  0.033  1.0
  O  O9  1  0.248  0.756  0.526  1.0
  O  O10  1  0.752  0.244  0.474  1.0
  O  O11  1  0.695  0.488  0.967  1.0
  O  O12  1  0.748  0.748  0.474  1.0
  O  O13  1  0.805  0.878  0.967  1.0
[/CIF]
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The material structure described by Tm2CuO4 crystallizes in the monoclinic P2_1/c space group. Tm(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Tm(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Tm(1) atoms to form a mixture of corner and edge-sharing OTm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.702
_cell_length_b   5.484
_cell_length_c   6.136
_cell_angle_alpha   109.150
_cell_angle_beta   103.479
_cell_angle_gamma   44.620
_symmetry_Int_Tables_number   1
_cell_volume   171.956
_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
  Tm  Tm0  1  0.020  0.657  0.311  1.0
  Tm  Tm1  1  0.520  0.303  0.689  1.0
  Tm  Tm2  1  0.480  0.697  0.311  1.0
  Tm  Tm3  1  0.980  0.343  0.689  1.0
  Cu  Cu4  1  0.000  1.000  1.000  1.0
  Cu  Cu5  1  0.500  1.000  0.000  1.0
  O  O6  1  0.195  0.122  0.033  1.0
  O  O7  1  0.252  0.252  0.526  1.0
  O  O8  1  0.305  0.512  0.033  1.0
  O  O9  1  0.248  0.756  0.526  1.0
  O  O10  1  0.752  0.244  0.474  1.0
  O  O11  1  0.695  0.488  0.967  1.0
  O  O12  1  0.748  0.748  0.474  1.0
  O  O13  1  0.805  0.878  0.967  1.0
[/CIF]
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