The structure described by Tm2CuO4 crystallizes in the monoclinic P2_1/c space group. Tm(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Tm(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Tm(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Tm2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.834
_cell_length_b   4.671
_cell_length_c   6.041
_cell_angle_alpha   76.994
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.414
_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  0.963  0.338  0.305  1.0
  Tm  Tm1  1  0.463  0.662  0.195  1.0
  Tm  Tm2  1  0.537  0.338  0.805  1.0
  Tm  Tm3  1  0.037  0.662  0.695  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.892  0.163  0.694  1.0
  O  O7  1  0.696  0.641  0.499  1.0
  O  O8  1  0.608  0.163  0.194  1.0
  O  O9  1  0.804  0.641  0.999  1.0
  O  O10  1  0.196  0.359  0.001  1.0
  O  O11  1  0.392  0.837  0.806  1.0
  O  O12  1  0.304  0.359  0.501  1.0
  O  O13  1  0.108  0.837  0.306  1.0
[/CIF]
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The structure described by Tm2CuO4 crystallizes in the monoclinic P2_1/c space group. Tm(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Tm(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Tm(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Tm2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.834
_cell_length_b   4.671
_cell_length_c   6.041
_cell_angle_alpha   76.994
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.414
_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  0.963  0.338  0.305  1.0
  Tm  Tm1  1  0.463  0.662  0.195  1.0
  Tm  Tm2  1  0.537  0.338  0.805  1.0
  Tm  Tm3  1  0.037  0.662  0.695  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.892  0.163  0.694  1.0
  O  O7  1  0.696  0.641  0.499  1.0
  O  O8  1  0.608  0.163  0.194  1.0
  O  O9  1  0.804  0.641  0.999  1.0
  O  O10  1  0.196  0.359  0.001  1.0
  O  O11  1  0.392  0.837  0.806  1.0
  O  O12  1  0.304  0.359  0.501  1.0
  O  O13  1  0.108  0.837  0.306  1.0
[/CIF]
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