The material structure described by Mn5Pd3Ga4 crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 14-coordinate geometry to one Mn(1), one Mn(2), three equivalent Mn(3), three equivalent Pd(2), three equivalent Ga(1), and three equivalent Ga(2) atoms. In the second Mn site, Mn(2) is bonded in a 14-coordinate geometry to one Mn(1), one Mn(2), three equivalent Pd(1), three equivalent Pd(2), three equivalent Ga(1), and three equivalent Ga(3) atoms. In the third Mn site, Mn(3) is bonded to six equivalent Mn(1), two equivalent Ga(1), and three equivalent Ga(2) atoms to form distorted face-sharing MnMn6Ga5 trigonal bipyramids. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 11-coordinate geometry to six equivalent Mn(2), two equivalent Ga(1), and three equivalent Ga(3) atoms. In the second Pd site, Pd(2) is bonded in a 11-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Ga(2), one Ga(3), and three equivalent Ga(1) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to one Mn(3), three equivalent Mn(1), three equivalent Mn(2), one Pd(1), and three equivalent Pd(2) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to three equivalent Mn(3), six equivalent Mn(1), and two equivalent Pd(2) atoms. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to six equivalent Mn(2), two equivalent Pd(2), and three equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_Mn5Ga4Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.342
_cell_length_b   4.342
_cell_length_c   10.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.978
_symmetry_Int_Tables_number   1
_cell_volume   175.305
_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
  Mn  Mn0  1  1.000  0.000  0.246  1.0
  Mn  Mn1  1  0.000  1.000  0.747  1.0
  Mn  Mn2  1  1.000  0.000  0.004  1.0
  Mn  Mn3  1  0.000  1.000  0.503  1.0
  Mn  Mn4  1  0.667  0.333  0.125  1.0
  Ga  Ga5  1  0.667  0.333  0.375  1.0
  Ga  Ga6  1  0.667  0.333  0.875  1.0
  Ga  Ga7  1  0.333  0.667  0.125  1.0
  Ga  Ga8  1  0.333  0.667  0.625  1.0
  Pd  Pd9  1  0.667  0.333  0.625  1.0
  Pd  Pd10  1  0.333  0.667  0.372  1.0
  Pd  Pd11  1  0.333  0.667  0.878  1.0
[/CIF]
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The material structure described by Mn5Pd3Ga4 crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 14-coordinate geometry to one Mn(1), one Mn(2), three equivalent Mn(3), three equivalent Pd(2), three equivalent Ga(1), and three equivalent Ga(2) atoms. In the second Mn site, Mn(2) is bonded in a 14-coordinate geometry to one Mn(1), one Mn(2), three equivalent Pd(1), three equivalent Pd(2), three equivalent Ga(1), and three equivalent Ga(3) atoms. In the third Mn site, Mn(3) is bonded to six equivalent Mn(1), two equivalent Ga(1), and three equivalent Ga(2) atoms to form distorted face-sharing MnMn6Ga5 trigonal bipyramids. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 11-coordinate geometry to six equivalent Mn(2), two equivalent Ga(1), and three equivalent Ga(3) atoms. In the second Pd site, Pd(2) is bonded in a 11-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Ga(2), one Ga(3), and three equivalent Ga(1) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to one Mn(3), three equivalent Mn(1), three equivalent Mn(2), one Pd(1), and three equivalent Pd(2) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to three equivalent Mn(3), six equivalent Mn(1), and two equivalent Pd(2) atoms. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to six equivalent Mn(2), two equivalent Pd(2), and three equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_Mn5Ga4Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.342
_cell_length_b   4.342
_cell_length_c   10.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.978
_symmetry_Int_Tables_number   1
_cell_volume   175.305
_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
  Mn  Mn0  1  1.000  0.000  0.246  1.0
  Mn  Mn1  1  0.000  1.000  0.747  1.0
  Mn  Mn2  1  1.000  0.000  0.004  1.0
  Mn  Mn3  1  0.000  1.000  0.503  1.0
  Mn  Mn4  1  0.667  0.333  0.125  1.0
  Ga  Ga5  1  0.667  0.333  0.375  1.0
  Ga  Ga6  1  0.667  0.333  0.875  1.0
  Ga  Ga7  1  0.333  0.667  0.125  1.0
  Ga  Ga8  1  0.333  0.667  0.625  1.0
  Pd  Pd9  1  0.667  0.333  0.625  1.0
  Pd  Pd10  1  0.333  0.667  0.372  1.0
  Pd  Pd11  1  0.333  0.667  0.878  1.0
[/CIF]
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