The material described by Y5Cu5Mg8 crystallizes in the orthorhombic Pmma space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted L-shaped geometry to two equivalent Cu(2) atoms. In the third Mg site, Mg(3) is bonded in a distorted L-shaped geometry to one Cu(2) and one Cu(3) atom. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Cu(3) atoms. In the fifth Mg site, Mg(5) is bonded in a distorted linear geometry to two equivalent Cu(2) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent Cu(3) atoms. In the third Y site, Y(3) is bonded in a 4-coordinate geometry to two equivalent Cu(2) and two equivalent Cu(3) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), one Y(2), and two equivalent Y(1) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(3), one Mg(5), two equivalent Mg(2), two equivalent Y(1), and two equivalent Y(3) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(3), one Mg(4), two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms. is represented by the CIF card [CIF]
data_Y5Mg8Cu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.006
_cell_length_b   7.418
_cell_length_c   26.391
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   784.181
_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
  Y  Y0  1  0.500  0.427  0.150  1.0
  Y  Y1  1  0.500  0.573  0.850  1.0
  Y  Y2  1  0.500  0.801  0.250  1.0
  Y  Y3  1  0.500  0.924  0.394  1.0
  Y  Y4  1  0.500  0.076  0.894  1.0
  Y  Y5  1  0.500  0.199  0.750  1.0
  Y  Y6  1  0.500  0.076  0.606  1.0
  Y  Y7  1  0.500  0.924  0.106  1.0
  Y  Y8  1  0.500  0.573  0.650  1.0
  Y  Y9  1  0.500  0.427  0.350  1.0
  Mg  Mg10  1  0.000  0.906  0.810  1.0
  Mg  Mg11  1  0.500  0.300  0.024  1.0
  Mg  Mg12  1  0.000  0.597  0.439  1.0
  Mg  Mg13  1  0.000  0.461  0.250  1.0
  Mg  Mg14  1  0.000  0.094  0.310  1.0
  Mg  Mg15  1  0.500  0.700  0.976  1.0
  Mg  Mg16  1  0.000  0.403  0.939  1.0
  Mg  Mg17  1  0.000  0.597  0.061  1.0
  Mg  Mg18  1  0.000  0.000  0.000  1.0
  Mg  Mg19  1  0.500  0.300  0.476  1.0
  Mg  Mg20  1  0.000  0.403  0.561  1.0
  Mg  Mg21  1  0.500  0.700  0.524  1.0
  Mg  Mg22  1  0.000  0.094  0.190  1.0
  Mg  Mg23  1  0.000  0.539  0.750  1.0
  Mg  Mg24  1  0.000  0.000  0.500  1.0
  Mg  Mg25  1  0.000  0.906  0.690  1.0
  Cu  Cu26  1  0.500  0.218  0.250  1.0
  Cu  Cu27  1  0.000  0.216  0.089  1.0
  Cu  Cu28  1  0.000  0.216  0.411  1.0
  Cu  Cu29  1  0.000  0.283  0.833  1.0
  Cu  Cu30  1  0.000  0.784  0.911  1.0
  Cu  Cu31  1  0.500  0.782  0.750  1.0
  Cu  Cu32  1  0.000  0.717  0.167  1.0
  Cu  Cu33  1  0.000  0.784  0.589  1.0
  Cu  Cu34  1  0.000  0.717  0.333  1.0
  Cu  Cu35  1  0.000  0.283  0.667  1.0
[/CIF]
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The material described by Y5Cu5Mg8 crystallizes in the orthorhombic Pmma space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted L-shaped geometry to two equivalent Cu(2) atoms. In the third Mg site, Mg(3) is bonded in a distorted L-shaped geometry to one Cu(2) and one Cu(3) atom. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Cu(3) atoms. In the fifth Mg site, Mg(5) is bonded in a distorted linear geometry to two equivalent Cu(2) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent Cu(3) atoms. In the third Y site, Y(3) is bonded in a 4-coordinate geometry to two equivalent Cu(2) and two equivalent Cu(3) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), one Y(2), and two equivalent Y(1) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(3), one Mg(5), two equivalent Mg(2), two equivalent Y(1), and two equivalent Y(3) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(3), one Mg(4), two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms. is represented by the CIF card [CIF]
data_Y5Mg8Cu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.006
_cell_length_b   7.418
_cell_length_c   26.391
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   784.181
_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
  Y  Y0  1  0.500  0.427  0.150  1.0
  Y  Y1  1  0.500  0.573  0.850  1.0
  Y  Y2  1  0.500  0.801  0.250  1.0
  Y  Y3  1  0.500  0.924  0.394  1.0
  Y  Y4  1  0.500  0.076  0.894  1.0
  Y  Y5  1  0.500  0.199  0.750  1.0
  Y  Y6  1  0.500  0.076  0.606  1.0
  Y  Y7  1  0.500  0.924  0.106  1.0
  Y  Y8  1  0.500  0.573  0.650  1.0
  Y  Y9  1  0.500  0.427  0.350  1.0
  Mg  Mg10  1  0.000  0.906  0.810  1.0
  Mg  Mg11  1  0.500  0.300  0.024  1.0
  Mg  Mg12  1  0.000  0.597  0.439  1.0
  Mg  Mg13  1  0.000  0.461  0.250  1.0
  Mg  Mg14  1  0.000  0.094  0.310  1.0
  Mg  Mg15  1  0.500  0.700  0.976  1.0
  Mg  Mg16  1  0.000  0.403  0.939  1.0
  Mg  Mg17  1  0.000  0.597  0.061  1.0
  Mg  Mg18  1  0.000  0.000  0.000  1.0
  Mg  Mg19  1  0.500  0.300  0.476  1.0
  Mg  Mg20  1  0.000  0.403  0.561  1.0
  Mg  Mg21  1  0.500  0.700  0.524  1.0
  Mg  Mg22  1  0.000  0.094  0.190  1.0
  Mg  Mg23  1  0.000  0.539  0.750  1.0
  Mg  Mg24  1  0.000  0.000  0.500  1.0
  Mg  Mg25  1  0.000  0.906  0.690  1.0
  Cu  Cu26  1  0.500  0.218  0.250  1.0
  Cu  Cu27  1  0.000  0.216  0.089  1.0
  Cu  Cu28  1  0.000  0.216  0.411  1.0
  Cu  Cu29  1  0.000  0.283  0.833  1.0
  Cu  Cu30  1  0.000  0.784  0.911  1.0
  Cu  Cu31  1  0.500  0.782  0.750  1.0
  Cu  Cu32  1  0.000  0.717  0.167  1.0
  Cu  Cu33  1  0.000  0.784  0.589  1.0
  Cu  Cu34  1  0.000  0.717  0.333  1.0
  Cu  Cu35  1  0.000  0.283  0.667  1.0
[/CIF]
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