The material described by Mg8PdNi3 is Khatyrkite-derived structured and crystallizes in the monoclinic P2 space group. There are eighteen inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to one Pd(3), one Ni(2), one Ni(6), and one Ni(8) atom. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(3), one Ni(7), and one Ni(9) atom. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to one Pd(1), one Ni(3), one Ni(4), and one Ni(9) atom. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to one Pd(2), one Ni(2), one Ni(5), and one Ni(8) atom. In the fifth Mg site, Mg(5) is bonded in a 4-coordinate geometry to one Pd(1), one Pd(3), one Ni(4), and one Ni(6) atom. In the sixth Mg site, Mg(6) is bonded in a 4-coordinate geometry to one Pd(2), one Ni(1), one Ni(5), and one Ni(7) atom. In the seventh Mg site, Mg(7) is bonded in a 4-coordinate geometry to two equivalent Ni(2) and two equivalent Ni(8) atoms. In the eighth Mg site, Mg(8) is bonded in a 4-coordinate geometry to two equivalent Ni(3) and two equivalent Ni(9) atoms. In the ninth Mg site, Mg(9) is bonded in a 4-coordinate geometry to two equivalent Pd(1) and two equivalent Ni(4) atoms. In the tenth Mg site, Mg(10) is bonded in a 4-coordinate geometry to two equivalent Pd(2) and two equivalent Ni(5) atoms. In the eleventh Mg site, Mg(11) is bonded in a 4-coordinate geometry to two equivalent Pd(3) and two equivalent Ni(6) atoms. In the twelfth Mg site, Mg(12) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Ni(7) atoms. In the thirteenth Mg site, Mg(13) is bonded in a 4-coordinate geometry to two equivalent Pd(3) and two equivalent Ni(6) atoms. In the fourteenth Mg site, Mg(14) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Ni(7) atoms. In the fifteenth Mg site, Mg(15) is bonded in a 4-coordinate geometry to two equivalent Pd(1) and two equivalent Ni(4) atoms. In the sixteenth Mg site, Mg(16) is bonded in a 4-coordinate geometry to two equivalent Pd(2) and two equivalent Ni(5) atoms. In the seventeenth Mg site, Mg(17) is bonded in a 4-coordinate geometry to two equivalent Ni(2) and two equivalent Ni(8) atoms. In the eighteenth Mg site, Mg(18) is bonded in a 4-coordinate geometry to two equivalent Ni(3) and two equivalent Ni(9) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 10-coordinate geometry to two equivalent Mg(15), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(9), and two equivalent Ni(4) atoms. In the second Pd site, Pd(2) is bonded in a 10-coordinate geometry to two equivalent Mg(10), two equivalent Mg(16), two equivalent Mg(4), two equivalent Mg(6), and two equivalent Ni(5) atoms. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(11), two equivalent Mg(13), two equivalent Mg(5), and two equivalent Ni(6) atoms. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to two equivalent Mg(12), two equivalent Mg(14), two equivalent Mg(2), and two equivalent Mg(6) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(17), two equivalent Mg(4), two equivalent Mg(7), and two equivalent Ni(8) atoms. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Mg(18), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(8), and two equivalent Ni(9) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted q6 geometry to two equivalent Mg(15), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(9), and two equivalent Pd(1) atoms. In the fifth Ni site, Ni(5) is bonded in a distorted q6 geometry to two equivalent Mg(10), two equivalent Mg(16), two equivalent Mg(4), two equivalent Mg(6), and two equivalent Pd(2) atoms. In the sixth Ni site, Ni(6) is bonded in a distorted q6 geometry to two equivalent Mg(1), two equivalent Mg(11), two equivalent Mg(13), two equivalent Mg(5), and two equivalent Pd(3) atoms. In the seventh Ni site, Ni(7) is bonded in a 8-coordinate geometry to two equivalent Mg(12), two equivalent Mg(14), two equivalent Mg(2), and two equivalent Mg(6) atoms. In the eighth Ni site, Ni(8) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(17), two equivalent Mg(4), two equivalent Mg(7), and two equivalent Ni(2) atoms. In the ninth Ni site, Ni(9) is bonded in a 10-coordinate geometry to two equivalent Mg(18), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(8), and two equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_Mg8Ni3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   26.169
_cell_length_b   5.258
_cell_length_c   5.290
_cell_angle_alpha   60.360
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   632.595
_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
  Mg  Mg0  1  0.335  0.833  0.840  1.0
  Mg  Mg1  1  0.833  0.835  0.834  1.0
  Mg  Mg2  1  0.999  0.327  0.840  1.0
  Mg  Mg3  1  0.499  0.327  0.839  1.0
  Mg  Mg4  1  0.167  0.839  0.322  1.0
  Mg  Mg5  1  0.668  0.841  0.325  1.0
  Mg  Mg6  1  0.335  0.167  0.160  1.0
  Mg  Mg7  1  0.833  0.165  0.166  1.0
  Mg  Mg8  1  0.999  0.673  0.160  1.0
  Mg  Mg9  1  0.499  0.673  0.161  1.0
  Mg  Mg10  1  0.167  0.161  0.678  1.0
  Mg  Mg11  1  0.668  0.159  0.675  1.0
  Mg  Mg12  1  0.392  0.500  0.500  1.0
  Mg  Mg13  1  0.892  0.500  0.500  1.0
  Mg  Mg14  1  0.057  0.000  0.500  1.0
  Mg  Mg15  1  0.558  0.000  0.500  1.0
  Mg  Mg16  1  0.225  0.500  0.000  1.0
  Mg  Mg17  1  0.726  0.500  0.000  1.0
  Mg  Mg18  1  0.276  0.500  0.500  1.0
  Mg  Mg19  1  0.775  0.500  0.500  1.0
  Mg  Mg20  1  0.109  0.500  0.000  1.0
  Mg  Mg21  1  0.609  0.500  0.000  1.0
  Mg  Mg22  1  0.441  0.000  0.500  1.0
  Mg  Mg23  1  0.941  0.000  0.500  1.0
  Ni  Ni24  1  0.750  0.000  0.500  1.0
  Ni  Ni25  1  0.417  0.500  0.000  1.0
  Ni  Ni26  1  0.916  0.500  0.000  1.0
  Ni  Ni27  1  0.083  0.000  0.000  1.0
  Ni  Ni28  1  0.583  0.000  0.000  1.0
  Ni  Ni29  1  0.250  0.000  0.000  1.0
  Ni  Ni30  1  0.750  0.000  0.000  1.0
  Ni  Ni31  1  0.417  0.000  0.000  1.0
  Ni  Ni32  1  0.916  0.000  0.000  1.0
  Pd  Pd33  1  0.083  0.500  0.500  1.0
  Pd  Pd34  1  0.583  0.500  0.500  1.0
  Pd  Pd35  1  0.251  0.000  0.500  1.0
[/CIF]
.
The material described by Mg8PdNi3 is Khatyrkite-derived structured and crystallizes in the monoclinic P2 space group. There are eighteen inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to one Pd(3), one Ni(2), one Ni(6), and one Ni(8) atom. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(3), one Ni(7), and one Ni(9) atom. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to one Pd(1), one Ni(3), one Ni(4), and one Ni(9) atom. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to one Pd(2), one Ni(2), one Ni(5), and one Ni(8) atom. In the fifth Mg site, Mg(5) is bonded in a 4-coordinate geometry to one Pd(1), one Pd(3), one Ni(4), and one Ni(6) atom. In the sixth Mg site, Mg(6) is bonded in a 4-coordinate geometry to one Pd(2), one Ni(1), one Ni(5), and one Ni(7) atom. In the seventh Mg site, Mg(7) is bonded in a 4-coordinate geometry to two equivalent Ni(2) and two equivalent Ni(8) atoms. In the eighth Mg site, Mg(8) is bonded in a 4-coordinate geometry to two equivalent Ni(3) and two equivalent Ni(9) atoms. In the ninth Mg site, Mg(9) is bonded in a 4-coordinate geometry to two equivalent Pd(1) and two equivalent Ni(4) atoms. In the tenth Mg site, Mg(10) is bonded in a 4-coordinate geometry to two equivalent Pd(2) and two equivalent Ni(5) atoms. In the eleventh Mg site, Mg(11) is bonded in a 4-coordinate geometry to two equivalent Pd(3) and two equivalent Ni(6) atoms. In the twelfth Mg site, Mg(12) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Ni(7) atoms. In the thirteenth Mg site, Mg(13) is bonded in a 4-coordinate geometry to two equivalent Pd(3) and two equivalent Ni(6) atoms. In the fourteenth Mg site, Mg(14) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Ni(7) atoms. In the fifteenth Mg site, Mg(15) is bonded in a 4-coordinate geometry to two equivalent Pd(1) and two equivalent Ni(4) atoms. In the sixteenth Mg site, Mg(16) is bonded in a 4-coordinate geometry to two equivalent Pd(2) and two equivalent Ni(5) atoms. In the seventeenth Mg site, Mg(17) is bonded in a 4-coordinate geometry to two equivalent Ni(2) and two equivalent Ni(8) atoms. In the eighteenth Mg site, Mg(18) is bonded in a 4-coordinate geometry to two equivalent Ni(3) and two equivalent Ni(9) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 10-coordinate geometry to two equivalent Mg(15), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(9), and two equivalent Ni(4) atoms. In the second Pd site, Pd(2) is bonded in a 10-coordinate geometry to two equivalent Mg(10), two equivalent Mg(16), two equivalent Mg(4), two equivalent Mg(6), and two equivalent Ni(5) atoms. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(11), two equivalent Mg(13), two equivalent Mg(5), and two equivalent Ni(6) atoms. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to two equivalent Mg(12), two equivalent Mg(14), two equivalent Mg(2), and two equivalent Mg(6) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(17), two equivalent Mg(4), two equivalent Mg(7), and two equivalent Ni(8) atoms. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Mg(18), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(8), and two equivalent Ni(9) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted q6 geometry to two equivalent Mg(15), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(9), and two equivalent Pd(1) atoms. In the fifth Ni site, Ni(5) is bonded in a distorted q6 geometry to two equivalent Mg(10), two equivalent Mg(16), two equivalent Mg(4), two equivalent Mg(6), and two equivalent Pd(2) atoms. In the sixth Ni site, Ni(6) is bonded in a distorted q6 geometry to two equivalent Mg(1), two equivalent Mg(11), two equivalent Mg(13), two equivalent Mg(5), and two equivalent Pd(3) atoms. In the seventh Ni site, Ni(7) is bonded in a 8-coordinate geometry to two equivalent Mg(12), two equivalent Mg(14), two equivalent Mg(2), and two equivalent Mg(6) atoms. In the eighth Ni site, Ni(8) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(17), two equivalent Mg(4), two equivalent Mg(7), and two equivalent Ni(2) atoms. In the ninth Ni site, Ni(9) is bonded in a 10-coordinate geometry to two equivalent Mg(18), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(8), and two equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_Mg8Ni3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   26.169
_cell_length_b   5.258
_cell_length_c   5.290
_cell_angle_alpha   60.360
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   632.595
_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
  Mg  Mg0  1  0.335  0.833  0.840  1.0
  Mg  Mg1  1  0.833  0.835  0.834  1.0
  Mg  Mg2  1  0.999  0.327  0.840  1.0
  Mg  Mg3  1  0.499  0.327  0.839  1.0
  Mg  Mg4  1  0.167  0.839  0.322  1.0
  Mg  Mg5  1  0.668  0.841  0.325  1.0
  Mg  Mg6  1  0.335  0.167  0.160  1.0
  Mg  Mg7  1  0.833  0.165  0.166  1.0
  Mg  Mg8  1  0.999  0.673  0.160  1.0
  Mg  Mg9  1  0.499  0.673  0.161  1.0
  Mg  Mg10  1  0.167  0.161  0.678  1.0
  Mg  Mg11  1  0.668  0.159  0.675  1.0
  Mg  Mg12  1  0.392  0.500  0.500  1.0
  Mg  Mg13  1  0.892  0.500  0.500  1.0
  Mg  Mg14  1  0.057  0.000  0.500  1.0
  Mg  Mg15  1  0.558  0.000  0.500  1.0
  Mg  Mg16  1  0.225  0.500  0.000  1.0
  Mg  Mg17  1  0.726  0.500  0.000  1.0
  Mg  Mg18  1  0.276  0.500  0.500  1.0
  Mg  Mg19  1  0.775  0.500  0.500  1.0
  Mg  Mg20  1  0.109  0.500  0.000  1.0
  Mg  Mg21  1  0.609  0.500  0.000  1.0
  Mg  Mg22  1  0.441  0.000  0.500  1.0
  Mg  Mg23  1  0.941  0.000  0.500  1.0
  Ni  Ni24  1  0.750  0.000  0.500  1.0
  Ni  Ni25  1  0.417  0.500  0.000  1.0
  Ni  Ni26  1  0.916  0.500  0.000  1.0
  Ni  Ni27  1  0.083  0.000  0.000  1.0
  Ni  Ni28  1  0.583  0.000  0.000  1.0
  Ni  Ni29  1  0.250  0.000  0.000  1.0
  Ni  Ni30  1  0.750  0.000  0.000  1.0
  Ni  Ni31  1  0.417  0.000  0.000  1.0
  Ni  Ni32  1  0.916  0.000  0.000  1.0
  Pd  Pd33  1  0.083  0.500  0.500  1.0
  Pd  Pd34  1  0.583  0.500  0.500  1.0
  Pd  Pd35  1  0.251  0.000  0.500  1.0
[/CIF]
.