The material structure described by Mg3Zn3Y2 crystallizes in the trigonal R3m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to three equivalent Mg(3), one Zn(1), one Zn(3), and three equivalent Zn(2) atoms. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to one Mg(3), one Zn(2), three equivalent Zn(1), and three equivalent Zn(3) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to one Mg(2), three equivalent Mg(1), one Y(2), and three equivalent Y(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to three equivalent Mg(3), one Zn(1), one Zn(2), and three equivalent Zn(3) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one Mg(3), one Zn(3), three equivalent Zn(1), and three equivalent Zn(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a body-centered cubic geometry to one Mg(1), three equivalent Mg(2), one Y(1), and three equivalent Y(2) atoms. In the second Zn site, Zn(2) is bonded in a body-centered cubic geometry to one Mg(2), three equivalent Mg(1), one Y(1), and three equivalent Y(2) atoms. In the third Zn site, Zn(3) is bonded in a body-centered cubic geometry to one Mg(1), three equivalent Mg(2), one Y(2), and three equivalent Y(1) atoms. is represented by the CIF file [CIF]
data_Y2(MgZn)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.528
_cell_length_b   8.528
_cell_length_c   8.528
_cell_angle_alpha   33.515
_cell_angle_beta   33.515
_cell_angle_gamma   33.515
_symmetry_Int_Tables_number   1
_cell_volume   168.405
_cell_formula_units_Z   1
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  0.994  0.994  0.994  1.0
  Y  Y1  1  0.506  0.506  0.506  1.0
  Mg  Mg2  1  0.753  0.753  0.753  1.0
  Mg  Mg3  1  0.247  0.247  0.247  1.0
  Mg  Mg4  1  0.377  0.377  0.377  1.0
  Zn  Zn5  1  0.874  0.874  0.874  1.0
  Zn  Zn6  1  0.120  0.120  0.120  1.0
  Zn  Zn7  1  0.629  0.629  0.629  1.0
[/CIF]
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The material structure described by Mg3Zn3Y2 crystallizes in the trigonal R3m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to three equivalent Mg(3), one Zn(1), one Zn(3), and three equivalent Zn(2) atoms. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to one Mg(3), one Zn(2), three equivalent Zn(1), and three equivalent Zn(3) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to one Mg(2), three equivalent Mg(1), one Y(2), and three equivalent Y(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to three equivalent Mg(3), one Zn(1), one Zn(2), and three equivalent Zn(3) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one Mg(3), one Zn(3), three equivalent Zn(1), and three equivalent Zn(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a body-centered cubic geometry to one Mg(1), three equivalent Mg(2), one Y(1), and three equivalent Y(2) atoms. In the second Zn site, Zn(2) is bonded in a body-centered cubic geometry to one Mg(2), three equivalent Mg(1), one Y(1), and three equivalent Y(2) atoms. In the third Zn site, Zn(3) is bonded in a body-centered cubic geometry to one Mg(1), three equivalent Mg(2), one Y(2), and three equivalent Y(1) atoms. is represented by the CIF file [CIF]
data_Y2(MgZn)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.528
_cell_length_b   8.528
_cell_length_c   8.528
_cell_angle_alpha   33.515
_cell_angle_beta   33.515
_cell_angle_gamma   33.515
_symmetry_Int_Tables_number   1
_cell_volume   168.405
_cell_formula_units_Z   1
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  0.994  0.994  0.994  1.0
  Y  Y1  1  0.506  0.506  0.506  1.0
  Mg  Mg2  1  0.753  0.753  0.753  1.0
  Mg  Mg3  1  0.247  0.247  0.247  1.0
  Mg  Mg4  1  0.377  0.377  0.377  1.0
  Zn  Zn5  1  0.874  0.874  0.874  1.0
  Zn  Zn6  1  0.120  0.120  0.120  1.0
  Zn  Zn7  1  0.629  0.629  0.629  1.0
[/CIF]
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