The material described by Mn4Cu2Ga3 crystallizes in the hexagonal P-6m2 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mn(3), three equivalent Mn(4), one Ga(3), one Ga(4), and three equivalent Ga(2) atoms to form a mixture of distorted face and corner-sharing MnMn6Ga5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded in a 14-coordinate geometry to one Mn(2), one Mn(3), three equivalent Cu(1), three equivalent Cu(3), three equivalent Ga(1), and three equivalent Ga(3) atoms. In the third Mn site, Mn(3) is bonded in a 14-coordinate geometry to one Mn(2), one Mn(4), three equivalent Mn(1), three equivalent Cu(1), three equivalent Ga(2), and three equivalent Ga(3) atoms. In the fourth Mn site, Mn(4) is bonded in a 14-coordinate geometry to one Mn(3), one Mn(4), three equivalent Mn(1), three equivalent Cu(2), three equivalent Ga(2), and three equivalent Ga(4) atoms. In the fifth Mn site, Mn(4) is bonded in a 14-coordinate geometry to one Mn(3), one Mn(4), three equivalent Mn(1), three equivalent Cu(2), three equivalent Ga(2), and three equivalent Ga(4) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to three equivalent Mn(2), three equivalent Mn(3), one Ga(1), one Ga(2), and three equivalent Ga(3) atoms. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to six Mn(4,4); two equivalent Ga(2); and three equivalent Ga(4) atoms. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to six equivalent Mn(2), two equivalent Ga(3), and three equivalent Ga(1) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to six equivalent Mn(2), two equivalent Cu(1), and three equivalent Cu(3) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to three equivalent Mn(1), three equivalent Mn(3), three equivalent Mn(4), one Cu(1), and one Cu(2) atom. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to one Mn(1), three equivalent Mn(2), three equivalent Mn(3), one Cu(3), and three equivalent Cu(1) atoms. In the fourth Ga site, Ga(4) is bonded in a 11-coordinate geometry to two equivalent Mn(1); six Mn(4,4); and three equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Mn4Ga3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.200
_cell_length_b   4.200
_cell_length_c   15.943
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   243.517
_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
  Mn  Mn0  1  0.667  0.333  0.667  1.0
  Mn  Mn1  1  0.667  0.333  0.333  1.0
  Mn  Mn2  1  0.333  0.667  0.083  1.0
  Mn  Mn3  1  0.333  0.667  0.748  1.0
  Mn  Mn4  1  0.333  0.667  0.414  1.0
  Mn  Mn5  1  0.333  0.667  0.252  1.0
  Mn  Mn6  1  0.333  0.667  0.917  1.0
  Mn  Mn7  1  0.333  0.667  0.586  1.0
  Ga  Ga8  1  0.000  0.000  0.000  1.0
  Ga  Ga9  1  0.000  0.000  0.667  1.0
  Ga  Ga10  1  0.000  0.000  0.333  1.0
  Ga  Ga11  1  0.667  0.333  0.168  1.0
  Ga  Ga12  1  0.667  0.333  0.832  1.0
  Ga  Ga13  1  0.667  0.333  0.500  1.0
  Cu  Cu14  1  0.000  0.000  0.168  1.0
  Cu  Cu15  1  0.000  0.000  0.832  1.0
  Cu  Cu16  1  0.000  0.000  0.500  1.0
  Cu  Cu17  1  0.667  0.333  0.000  1.0
[/CIF]
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The material described by Mn4Cu2Ga3 crystallizes in the hexagonal P-6m2 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mn(3), three equivalent Mn(4), one Ga(3), one Ga(4), and three equivalent Ga(2) atoms to form a mixture of distorted face and corner-sharing MnMn6Ga5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded in a 14-coordinate geometry to one Mn(2), one Mn(3), three equivalent Cu(1), three equivalent Cu(3), three equivalent Ga(1), and three equivalent Ga(3) atoms. In the third Mn site, Mn(3) is bonded in a 14-coordinate geometry to one Mn(2), one Mn(4), three equivalent Mn(1), three equivalent Cu(1), three equivalent Ga(2), and three equivalent Ga(3) atoms. In the fourth Mn site, Mn(4) is bonded in a 14-coordinate geometry to one Mn(3), one Mn(4), three equivalent Mn(1), three equivalent Cu(2), three equivalent Ga(2), and three equivalent Ga(4) atoms. In the fifth Mn site, Mn(4) is bonded in a 14-coordinate geometry to one Mn(3), one Mn(4), three equivalent Mn(1), three equivalent Cu(2), three equivalent Ga(2), and three equivalent Ga(4) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to three equivalent Mn(2), three equivalent Mn(3), one Ga(1), one Ga(2), and three equivalent Ga(3) atoms. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to six Mn(4,4); two equivalent Ga(2); and three equivalent Ga(4) atoms. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to six equivalent Mn(2), two equivalent Ga(3), and three equivalent Ga(1) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to six equivalent Mn(2), two equivalent Cu(1), and three equivalent Cu(3) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to three equivalent Mn(1), three equivalent Mn(3), three equivalent Mn(4), one Cu(1), and one Cu(2) atom. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to one Mn(1), three equivalent Mn(2), three equivalent Mn(3), one Cu(3), and three equivalent Cu(1) atoms. In the fourth Ga site, Ga(4) is bonded in a 11-coordinate geometry to two equivalent Mn(1); six Mn(4,4); and three equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Mn4Ga3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.200
_cell_length_b   4.200
_cell_length_c   15.943
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   243.517
_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
  Mn  Mn0  1  0.667  0.333  0.667  1.0
  Mn  Mn1  1  0.667  0.333  0.333  1.0
  Mn  Mn2  1  0.333  0.667  0.083  1.0
  Mn  Mn3  1  0.333  0.667  0.748  1.0
  Mn  Mn4  1  0.333  0.667  0.414  1.0
  Mn  Mn5  1  0.333  0.667  0.252  1.0
  Mn  Mn6  1  0.333  0.667  0.917  1.0
  Mn  Mn7  1  0.333  0.667  0.586  1.0
  Ga  Ga8  1  0.000  0.000  0.000  1.0
  Ga  Ga9  1  0.000  0.000  0.667  1.0
  Ga  Ga10  1  0.000  0.000  0.333  1.0
  Ga  Ga11  1  0.667  0.333  0.168  1.0
  Ga  Ga12  1  0.667  0.333  0.832  1.0
  Ga  Ga13  1  0.667  0.333  0.500  1.0
  Cu  Cu14  1  0.000  0.000  0.168  1.0
  Cu  Cu15  1  0.000  0.000  0.832  1.0
  Cu  Cu16  1  0.000  0.000  0.500  1.0
  Cu  Cu17  1  0.667  0.333  0.000  1.0
[/CIF]
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