The crystal structure described by PdNi3Ga4 crystallizes in the trigonal R3 space group. Pd(1) is bonded in a 13-coordinate geometry to six Ni(1,1,1,1); one Ga(1); and six equivalent Ga(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1); four Ni(1,1,1); two equivalent Ga(1); and five equivalent Ga(2) atoms. In the second Ni site, Ni(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1); four Ni(1,1,1); two equivalent Ga(1); and five equivalent Ga(2) atoms. In the third Ni site, Ni(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1); four Ni(1,1,1); two equivalent Ga(1); and five equivalent Ga(2) atoms. In the fourth Ni site, Ni(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1); four Ni(1,1); two equivalent Ga(1); and five equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 7-coordinate geometry to one Pd(1) and six Ni(1,1,1,1) atoms. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to two equivalent Pd(1) and five Ni(1,1,1) atoms. is represented by the CIF card [CIF]
data_Ga4Ni3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.745
_cell_length_b   4.745
_cell_length_c   4.745
_cell_angle_alpha   90.406
_cell_angle_beta   89.594
_cell_angle_gamma   90.406
_symmetry_Int_Tables_number   1
_cell_volume   106.852
_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
  Ga  Ga0  1  0.165  0.335  0.665  1.0
  Ga  Ga1  1  0.345  0.660  0.149  1.0
  Ga  Ga2  1  0.649  0.155  0.340  1.0
  Ga  Ga3  1  0.840  0.851  0.845  1.0
  Ni  Ni4  1  0.638  0.358  0.861  1.0
  Ni  Ni5  1  0.361  0.862  0.642  1.0
  Ni  Ni6  1  0.142  0.139  0.138  1.0
  Pd  Pd7  1  0.860  0.640  0.360  1.0
[/CIF]
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The crystal structure described by PdNi3Ga4 crystallizes in the trigonal R3 space group. Pd(1) is bonded in a 13-coordinate geometry to six Ni(1,1,1,1); one Ga(1); and six equivalent Ga(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1); four Ni(1,1,1); two equivalent Ga(1); and five equivalent Ga(2) atoms. In the second Ni site, Ni(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1); four Ni(1,1,1); two equivalent Ga(1); and five equivalent Ga(2) atoms. In the third Ni site, Ni(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1); four Ni(1,1,1); two equivalent Ga(1); and five equivalent Ga(2) atoms. In the fourth Ni site, Ni(1) is bonded in a 13-coordinate geometry to two equivalent Pd(1); four Ni(1,1); two equivalent Ga(1); and five equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 7-coordinate geometry to one Pd(1) and six Ni(1,1,1,1) atoms. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to two equivalent Pd(1) and five Ni(1,1,1) atoms. is represented by the CIF card [CIF]
data_Ga4Ni3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.745
_cell_length_b   4.745
_cell_length_c   4.745
_cell_angle_alpha   90.406
_cell_angle_beta   89.594
_cell_angle_gamma   90.406
_symmetry_Int_Tables_number   1
_cell_volume   106.852
_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
  Ga  Ga0  1  0.165  0.335  0.665  1.0
  Ga  Ga1  1  0.345  0.660  0.149  1.0
  Ga  Ga2  1  0.649  0.155  0.340  1.0
  Ga  Ga3  1  0.840  0.851  0.845  1.0
  Ni  Ni4  1  0.638  0.358  0.861  1.0
  Ni  Ni5  1  0.361  0.862  0.642  1.0
  Ni  Ni6  1  0.142  0.139  0.138  1.0
  Pd  Pd7  1  0.860  0.640  0.360  1.0
[/CIF]
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