The material structure described by Y2Cu3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 13-coordinate geometry to one Y(1), three equivalent Y(2), one Cu(4), one Cu(5), one Cu(6), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Y(1), one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), and one Cu(6) atom. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted q6 geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted q6 geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Cu(1), and two equivalent Cu(3) atoms. In the third Cu site, Cu(3) is bonded in a distorted q6 geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the fourth Cu site, Cu(4) is bonded in a 2-coordinate geometry to two equivalent Y(1) and two equivalent Y(2) atoms. In the fifth Cu site, Cu(5) is bonded in a 2-coordinate geometry to two equivalent Y(1) and two equivalent Y(2) atoms. In the sixth Cu site, Cu(6) is bonded in a 2-coordinate geometry to two equivalent Y(1) and two equivalent Y(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.413
_cell_length_b   5.502
_cell_length_c   18.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.730
_symmetry_Int_Tables_number   1
_cell_volume   467.576
_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
  Y  Y0  1  0.998  0.999  0.590  1.0
  Y  Y1  1  0.002  0.001  0.410  1.0
  Y  Y2  1  0.002  0.001  0.090  1.0
  Y  Y3  1  0.998  0.999  0.910  1.0
  Y  Y4  1  0.669  0.334  0.632  1.0
  Y  Y5  1  0.331  0.666  0.368  1.0
  Y  Y6  1  0.331  0.666  0.132  1.0
  Y  Y7  1  0.669  0.334  0.868  1.0
  Cu  Cu8  1  0.500  0.500  0.000  1.0
  Cu  Cu9  1  0.000  0.500  0.000  1.0
  Cu  Cu10  1  0.500  0.000  0.000  1.0
  Cu  Cu11  1  0.500  0.500  0.500  1.0
  Cu  Cu12  1  0.000  0.500  0.500  1.0
  Cu  Cu13  1  0.500  0.000  0.500  1.0
  Cu  Cu14  1  0.852  0.708  0.750  1.0
  Cu  Cu15  1  0.853  0.144  0.750  1.0
  Cu  Cu16  1  0.293  0.147  0.750  1.0
  Cu  Cu17  1  0.148  0.292  0.250  1.0
  Cu  Cu18  1  0.147  0.856  0.250  1.0
  Cu  Cu19  1  0.707  0.853  0.250  1.0
[/CIF]
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The material structure described by Y2Cu3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 13-coordinate geometry to one Y(1), three equivalent Y(2), one Cu(4), one Cu(5), one Cu(6), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Y(1), one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), and one Cu(6) atom. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted q6 geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted q6 geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Cu(1), and two equivalent Cu(3) atoms. In the third Cu site, Cu(3) is bonded in a distorted q6 geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the fourth Cu site, Cu(4) is bonded in a 2-coordinate geometry to two equivalent Y(1) and two equivalent Y(2) atoms. In the fifth Cu site, Cu(5) is bonded in a 2-coordinate geometry to two equivalent Y(1) and two equivalent Y(2) atoms. In the sixth Cu site, Cu(6) is bonded in a 2-coordinate geometry to two equivalent Y(1) and two equivalent Y(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.413
_cell_length_b   5.502
_cell_length_c   18.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.730
_symmetry_Int_Tables_number   1
_cell_volume   467.576
_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
  Y  Y0  1  0.998  0.999  0.590  1.0
  Y  Y1  1  0.002  0.001  0.410  1.0
  Y  Y2  1  0.002  0.001  0.090  1.0
  Y  Y3  1  0.998  0.999  0.910  1.0
  Y  Y4  1  0.669  0.334  0.632  1.0
  Y  Y5  1  0.331  0.666  0.368  1.0
  Y  Y6  1  0.331  0.666  0.132  1.0
  Y  Y7  1  0.669  0.334  0.868  1.0
  Cu  Cu8  1  0.500  0.500  0.000  1.0
  Cu  Cu9  1  0.000  0.500  0.000  1.0
  Cu  Cu10  1  0.500  0.000  0.000  1.0
  Cu  Cu11  1  0.500  0.500  0.500  1.0
  Cu  Cu12  1  0.000  0.500  0.500  1.0
  Cu  Cu13  1  0.500  0.000  0.500  1.0
  Cu  Cu14  1  0.852  0.708  0.750  1.0
  Cu  Cu15  1  0.853  0.144  0.750  1.0
  Cu  Cu16  1  0.293  0.147  0.750  1.0
  Cu  Cu17  1  0.148  0.292  0.250  1.0
  Cu  Cu18  1  0.147  0.856  0.250  1.0
  Cu  Cu19  1  0.707  0.853  0.250  1.0
[/CIF]
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