The crystal structure described by LaCuMg4 crystallizes in the hexagonal P-62m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to four equivalent La(1) and two equivalent Cu(2) atoms. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent La(1) and two equivalent Cu(1) atoms. In the third Mg site, Mg(3) is bonded in a single-bond geometry to three equivalent La(1) and one Cu(1) atom. La(1) is bonded in a 15-coordinate geometry to two equivalent Mg(2), three equivalent Mg(3), eight equivalent Mg(1), and two equivalent Cu(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Mg(3) and six equivalent Mg(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to six equivalent Mg(1) and three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaMg4Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.368
_cell_length_b   10.368
_cell_length_c   4.478
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   416.904
_cell_formula_units_Z   3
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
  La  La0  1  0.000  0.407  0.000  1.0
  La  La1  1  0.407  0.000  0.000  1.0
  La  La2  1  0.593  0.593  0.000  1.0
  Mg  Mg3  1  0.519  0.815  0.500  1.0
  Mg  Mg4  1  0.296  0.481  0.500  1.0
  Mg  Mg5  1  0.481  0.296  0.500  1.0
  Mg  Mg6  1  0.704  0.185  0.500  1.0
  Mg  Mg7  1  0.835  0.835  0.500  1.0
  Mg  Mg8  1  0.000  0.165  0.500  1.0
  Mg  Mg9  1  0.165  0.000  0.500  1.0
  Mg  Mg10  1  0.185  0.704  0.500  1.0
  Mg  Mg11  1  0.000  0.747  0.000  1.0
  Mg  Mg12  1  0.815  0.519  0.500  1.0
  Mg  Mg13  1  0.253  0.253  0.000  1.0
  Mg  Mg14  1  0.747  0.000  0.000  1.0
  Cu  Cu15  1  0.000  0.000  0.000  1.0
  Cu  Cu16  1  0.667  0.333  0.000  1.0
  Cu  Cu17  1  0.333  0.667  0.000  1.0
[/CIF]
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The crystal structure described by LaCuMg4 crystallizes in the hexagonal P-62m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to four equivalent La(1) and two equivalent Cu(2) atoms. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent La(1) and two equivalent Cu(1) atoms. In the third Mg site, Mg(3) is bonded in a single-bond geometry to three equivalent La(1) and one Cu(1) atom. La(1) is bonded in a 15-coordinate geometry to two equivalent Mg(2), three equivalent Mg(3), eight equivalent Mg(1), and two equivalent Cu(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Mg(3) and six equivalent Mg(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to six equivalent Mg(1) and three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaMg4Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.368
_cell_length_b   10.368
_cell_length_c   4.478
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   416.904
_cell_formula_units_Z   3
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
  La  La0  1  0.000  0.407  0.000  1.0
  La  La1  1  0.407  0.000  0.000  1.0
  La  La2  1  0.593  0.593  0.000  1.0
  Mg  Mg3  1  0.519  0.815  0.500  1.0
  Mg  Mg4  1  0.296  0.481  0.500  1.0
  Mg  Mg5  1  0.481  0.296  0.500  1.0
  Mg  Mg6  1  0.704  0.185  0.500  1.0
  Mg  Mg7  1  0.835  0.835  0.500  1.0
  Mg  Mg8  1  0.000  0.165  0.500  1.0
  Mg  Mg9  1  0.165  0.000  0.500  1.0
  Mg  Mg10  1  0.185  0.704  0.500  1.0
  Mg  Mg11  1  0.000  0.747  0.000  1.0
  Mg  Mg12  1  0.815  0.519  0.500  1.0
  Mg  Mg13  1  0.253  0.253  0.000  1.0
  Mg  Mg14  1  0.747  0.000  0.000  1.0
  Cu  Cu15  1  0.000  0.000  0.000  1.0
  Cu  Cu16  1  0.667  0.333  0.000  1.0
  Cu  Cu17  1  0.333  0.667  0.000  1.0
[/CIF]
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