The compound described by CuSeO5 crystallizes in the orthorhombic P2_12_12_1 space group. Cu(1) is bonded in a square pyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Se(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cu(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the CIF file [CIF]
data_CuSeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.094
_cell_length_b   7.288
_cell_length_c   9.254
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   411.019
_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  0.281  0.459  0.102  1.0
  Cu  Cu1  1  0.719  0.959  0.398  1.0
  Cu  Cu2  1  0.781  0.041  0.898  1.0
  Cu  Cu3  1  0.219  0.541  0.602  1.0
  Se  Se4  1  0.448  0.716  0.863  1.0
  Se  Se5  1  0.552  0.216  0.637  1.0
  Se  Se6  1  0.948  0.784  0.137  1.0
  Se  Se7  1  0.052  0.284  0.363  1.0
  O  O8  1  0.009  0.972  0.025  1.0
  O  O9  1  0.991  0.472  0.475  1.0
  O  O10  1  0.509  0.528  0.975  1.0
  O  O11  1  0.491  0.028  0.525  1.0
  O  O12  1  0.724  0.788  0.868  1.0
  O  O13  1  0.276  0.288  0.632  1.0
  O  O14  1  0.224  0.712  0.132  1.0
  O  O15  1  0.776  0.212  0.368  1.0
  O  O16  1  0.019  0.387  0.192  1.0
  O  O17  1  0.981  0.887  0.308  1.0
  O  O18  1  0.519  0.113  0.808  1.0
  O  O19  1  0.481  0.613  0.692  1.0
  O  O20  1  0.837  0.274  0.943  1.0
  O  O21  1  0.163  0.774  0.557  1.0
  O  O22  1  0.337  0.226  0.057  1.0
  O  O23  1  0.663  0.726  0.443  1.0
  O  O24  1  0.076  0.549  0.803  1.0
  O  O25  1  0.924  0.049  0.697  1.0
  O  O26  1  0.576  0.951  0.197  1.0
  O  O27  1  0.424  0.451  0.303  1.0
[/CIF]
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The compound described by CuSeO5 crystallizes in the orthorhombic P2_12_12_1 space group. Cu(1) is bonded in a square pyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Se(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cu(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the CIF file [CIF]
data_CuSeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.094
_cell_length_b   7.288
_cell_length_c   9.254
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   411.019
_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  0.281  0.459  0.102  1.0
  Cu  Cu1  1  0.719  0.959  0.398  1.0
  Cu  Cu2  1  0.781  0.041  0.898  1.0
  Cu  Cu3  1  0.219  0.541  0.602  1.0
  Se  Se4  1  0.448  0.716  0.863  1.0
  Se  Se5  1  0.552  0.216  0.637  1.0
  Se  Se6  1  0.948  0.784  0.137  1.0
  Se  Se7  1  0.052  0.284  0.363  1.0
  O  O8  1  0.009  0.972  0.025  1.0
  O  O9  1  0.991  0.472  0.475  1.0
  O  O10  1  0.509  0.528  0.975  1.0
  O  O11  1  0.491  0.028  0.525  1.0
  O  O12  1  0.724  0.788  0.868  1.0
  O  O13  1  0.276  0.288  0.632  1.0
  O  O14  1  0.224  0.712  0.132  1.0
  O  O15  1  0.776  0.212  0.368  1.0
  O  O16  1  0.019  0.387  0.192  1.0
  O  O17  1  0.981  0.887  0.308  1.0
  O  O18  1  0.519  0.113  0.808  1.0
  O  O19  1  0.481  0.613  0.692  1.0
  O  O20  1  0.837  0.274  0.943  1.0
  O  O21  1  0.163  0.774  0.557  1.0
  O  O22  1  0.337  0.226  0.057  1.0
  O  O23  1  0.663  0.726  0.443  1.0
  O  O24  1  0.076  0.549  0.803  1.0
  O  O25  1  0.924  0.049  0.697  1.0
  O  O26  1  0.576  0.951  0.197  1.0
  O  O27  1  0.424  0.451  0.303  1.0
[/CIF]
.