The structure described by Y2Zn3 crystallizes in the monoclinic P2_1 space group. There are four 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 Zn(3); two equivalent Zn(2); two Zn(4,4); and four Zn(1,1) atoms. In the second Y site, Y(1) is bonded in a 13-coordinate geometry to one Y(1); three equivalent Y(2); one Zn(3); two equivalent Zn(2); two Zn(4,4); and four Zn(1,1) atoms. In the third Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Y(1); one Zn(2); one Zn(3); two Zn(1,1); and two Zn(4,4) atoms. In the fourth Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Y(1); one Zn(2); one Zn(3); two Zn(1,1); and two Zn(4,4) atoms. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted q6 geometry to two Y(2,2); four Y(1,1); two equivalent Zn(1); and two equivalent Zn(2) atoms. In the second Zn site, Zn(1) is bonded in a distorted q6 geometry to two Y(2,2); four Y(1,1); two equivalent Zn(1); and two equivalent Zn(2) atoms. In the third Zn site, Zn(2) is bonded in a distorted q6 geometry to two Y(2,2); four Y(1,1); and four Zn(1,1) atoms. In the fourth Zn site, Zn(3) is bonded in a 8-coordinate geometry to two Y(1,1); two Y(2,2); and four Zn(4,4) atoms. In the fifth Zn site, Zn(4) is bonded in a 8-coordinate geometry to two Y(1,1); two Y(2,2); two equivalent Zn(3); and two equivalent Zn(4) atoms. In the sixth Zn site, Zn(4) is bonded in a 8-coordinate geometry to two Y(1,1); two Y(2,2); two equivalent Zn(3); and two equivalent Zn(4) atoms. is represented by the CIF file [CIF]
data_Y2Zn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   5.618
_cell_length_c   19.469
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   119.804
_symmetry_Int_Tables_number   1
_cell_volume   531.416
_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  0.000  1.000  0.584  1.0
  Y  Y1  1  0.000  0.001  0.416  1.0
  Y  Y2  1  1.000  0.000  0.084  1.0
  Y  Y3  1  1.000  0.999  0.916  1.0
  Y  Y4  1  0.667  0.335  0.632  1.0
  Y  Y5  1  0.333  0.665  0.368  1.0
  Y  Y6  1  0.333  0.665  0.132  1.0
  Y  Y7  1  0.667  0.335  0.868  1.0
  Zn  Zn8  1  0.500  0.500  1.000  1.0
  Zn  Zn9  1  1.000  0.500  1.000  1.0
  Zn  Zn10  1  0.500  1.000  0.000  1.0
  Zn  Zn11  1  0.500  0.500  0.500  1.0
  Zn  Zn12  1  1.000  0.500  0.500  1.0
  Zn  Zn13  1  0.500  0.000  0.500  1.0
  Zn  Zn14  1  0.851  0.702  0.750  1.0
  Zn  Zn15  1  0.850  0.148  0.750  1.0
  Zn  Zn16  1  0.298  0.148  0.750  1.0
  Zn  Zn17  1  0.149  0.298  0.250  1.0
  Zn  Zn18  1  0.150  0.852  0.250  1.0
  Zn  Zn19  1  0.702  0.852  0.250  1.0
[/CIF]
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The structure described by Y2Zn3 crystallizes in the monoclinic P2_1 space group. There are four 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 Zn(3); two equivalent Zn(2); two Zn(4,4); and four Zn(1,1) atoms. In the second Y site, Y(1) is bonded in a 13-coordinate geometry to one Y(1); three equivalent Y(2); one Zn(3); two equivalent Zn(2); two Zn(4,4); and four Zn(1,1) atoms. In the third Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Y(1); one Zn(2); one Zn(3); two Zn(1,1); and two Zn(4,4) atoms. In the fourth Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Y(1); one Zn(2); one Zn(3); two Zn(1,1); and two Zn(4,4) atoms. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted q6 geometry to two Y(2,2); four Y(1,1); two equivalent Zn(1); and two equivalent Zn(2) atoms. In the second Zn site, Zn(1) is bonded in a distorted q6 geometry to two Y(2,2); four Y(1,1); two equivalent Zn(1); and two equivalent Zn(2) atoms. In the third Zn site, Zn(2) is bonded in a distorted q6 geometry to two Y(2,2); four Y(1,1); and four Zn(1,1) atoms. In the fourth Zn site, Zn(3) is bonded in a 8-coordinate geometry to two Y(1,1); two Y(2,2); and four Zn(4,4) atoms. In the fifth Zn site, Zn(4) is bonded in a 8-coordinate geometry to two Y(1,1); two Y(2,2); two equivalent Zn(3); and two equivalent Zn(4) atoms. In the sixth Zn site, Zn(4) is bonded in a 8-coordinate geometry to two Y(1,1); two Y(2,2); two equivalent Zn(3); and two equivalent Zn(4) atoms. is represented by the CIF file [CIF]
data_Y2Zn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   5.618
_cell_length_c   19.469
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   119.804
_symmetry_Int_Tables_number   1
_cell_volume   531.416
_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  0.000  1.000  0.584  1.0
  Y  Y1  1  0.000  0.001  0.416  1.0
  Y  Y2  1  1.000  0.000  0.084  1.0
  Y  Y3  1  1.000  0.999  0.916  1.0
  Y  Y4  1  0.667  0.335  0.632  1.0
  Y  Y5  1  0.333  0.665  0.368  1.0
  Y  Y6  1  0.333  0.665  0.132  1.0
  Y  Y7  1  0.667  0.335  0.868  1.0
  Zn  Zn8  1  0.500  0.500  1.000  1.0
  Zn  Zn9  1  1.000  0.500  1.000  1.0
  Zn  Zn10  1  0.500  1.000  0.000  1.0
  Zn  Zn11  1  0.500  0.500  0.500  1.0
  Zn  Zn12  1  1.000  0.500  0.500  1.0
  Zn  Zn13  1  0.500  0.000  0.500  1.0
  Zn  Zn14  1  0.851  0.702  0.750  1.0
  Zn  Zn15  1  0.850  0.148  0.750  1.0
  Zn  Zn16  1  0.298  0.148  0.750  1.0
  Zn  Zn17  1  0.149  0.298  0.250  1.0
  Zn  Zn18  1  0.150  0.852  0.250  1.0
  Zn  Zn19  1  0.702  0.852  0.250  1.0
[/CIF]
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