The material structure described by Mg6NiSn crystallizes in the tetragonal P4_2cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Ni(1) and one Sn(1) atom. In the second Mg site, Mg(2) is bonded in a 3-coordinate geometry to one Ni(1) and two equivalent Sn(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted linear geometry to two equivalent Ni(1) atoms. In the fourth Mg site, Mg(4) is bonded to four equivalent Sn(1) atoms to form edge-sharing MgSn4 tetrahedra. In the fifth Mg site, Mg(5) is bonded in a distorted linear geometry to one Ni(1) and one Sn(1) atom. Ni(1) is bonded in a 9-coordinate geometry to one Mg(3), one Mg(5), two equivalent Mg(2), four equivalent Mg(1), and one Sn(1) atom. Sn(1) is bonded in a 10-coordinate geometry to one Mg(5), two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Mg6NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   9.954
_cell_length_c   9.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   684.175
_cell_formula_units_Z   4
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  0.226  0.239  0.523  1.0
  Mg  Mg1  1  0.226  0.761  0.477  1.0
  Mg  Mg2  1  0.726  0.477  0.239  1.0
  Mg  Mg3  1  0.726  0.239  0.477  1.0
  Mg  Mg4  1  0.726  0.523  0.761  1.0
  Mg  Mg5  1  0.726  0.761  0.523  1.0
  Mg  Mg6  1  0.226  0.477  0.761  1.0
  Mg  Mg7  1  0.226  0.523  0.239  1.0
  Mg  Mg8  1  0.029  0.036  0.346  1.0
  Mg  Mg9  1  0.029  0.964  0.654  1.0
  Mg  Mg10  1  0.529  0.654  0.036  1.0
  Mg  Mg11  1  0.529  0.036  0.654  1.0
  Mg  Mg12  1  0.529  0.346  0.964  1.0
  Mg  Mg13  1  0.529  0.964  0.346  1.0
  Mg  Mg14  1  0.029  0.654  0.964  1.0
  Mg  Mg15  1  0.029  0.346  0.036  1.0
  Mg  Mg16  1  0.469  0.500  0.500  1.0
  Mg  Mg17  1  0.969  0.500  0.500  1.0
  Mg  Mg18  1  0.999  0.000  0.000  1.0
  Mg  Mg19  1  0.499  0.000  0.000  1.0
  Mg  Mg20  1  0.337  0.226  0.226  1.0
  Mg  Mg21  1  0.337  0.774  0.774  1.0
  Mg  Mg22  1  0.837  0.774  0.226  1.0
  Mg  Mg23  1  0.837  0.226  0.774  1.0
  Ni  Ni24  1  0.009  0.309  0.309  1.0
  Ni  Ni25  1  0.009  0.691  0.691  1.0
  Ni  Ni26  1  0.509  0.691  0.309  1.0
  Ni  Ni27  1  0.509  0.309  0.691  1.0
  Sn  Sn28  1  0.741  0.171  0.171  1.0
  Sn  Sn29  1  0.741  0.829  0.829  1.0
  Sn  Sn30  1  0.241  0.829  0.171  1.0
  Sn  Sn31  1  0.241  0.171  0.829  1.0
[/CIF]
.
The material structure described by Mg6NiSn crystallizes in the tetragonal P4_2cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Ni(1) and one Sn(1) atom. In the second Mg site, Mg(2) is bonded in a 3-coordinate geometry to one Ni(1) and two equivalent Sn(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted linear geometry to two equivalent Ni(1) atoms. In the fourth Mg site, Mg(4) is bonded to four equivalent Sn(1) atoms to form edge-sharing MgSn4 tetrahedra. In the fifth Mg site, Mg(5) is bonded in a distorted linear geometry to one Ni(1) and one Sn(1) atom. Ni(1) is bonded in a 9-coordinate geometry to one Mg(3), one Mg(5), two equivalent Mg(2), four equivalent Mg(1), and one Sn(1) atom. Sn(1) is bonded in a 10-coordinate geometry to one Mg(5), two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Mg6NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   9.954
_cell_length_c   9.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   684.175
_cell_formula_units_Z   4
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  0.226  0.239  0.523  1.0
  Mg  Mg1  1  0.226  0.761  0.477  1.0
  Mg  Mg2  1  0.726  0.477  0.239  1.0
  Mg  Mg3  1  0.726  0.239  0.477  1.0
  Mg  Mg4  1  0.726  0.523  0.761  1.0
  Mg  Mg5  1  0.726  0.761  0.523  1.0
  Mg  Mg6  1  0.226  0.477  0.761  1.0
  Mg  Mg7  1  0.226  0.523  0.239  1.0
  Mg  Mg8  1  0.029  0.036  0.346  1.0
  Mg  Mg9  1  0.029  0.964  0.654  1.0
  Mg  Mg10  1  0.529  0.654  0.036  1.0
  Mg  Mg11  1  0.529  0.036  0.654  1.0
  Mg  Mg12  1  0.529  0.346  0.964  1.0
  Mg  Mg13  1  0.529  0.964  0.346  1.0
  Mg  Mg14  1  0.029  0.654  0.964  1.0
  Mg  Mg15  1  0.029  0.346  0.036  1.0
  Mg  Mg16  1  0.469  0.500  0.500  1.0
  Mg  Mg17  1  0.969  0.500  0.500  1.0
  Mg  Mg18  1  0.999  0.000  0.000  1.0
  Mg  Mg19  1  0.499  0.000  0.000  1.0
  Mg  Mg20  1  0.337  0.226  0.226  1.0
  Mg  Mg21  1  0.337  0.774  0.774  1.0
  Mg  Mg22  1  0.837  0.774  0.226  1.0
  Mg  Mg23  1  0.837  0.226  0.774  1.0
  Ni  Ni24  1  0.009  0.309  0.309  1.0
  Ni  Ni25  1  0.009  0.691  0.691  1.0
  Ni  Ni26  1  0.509  0.691  0.309  1.0
  Ni  Ni27  1  0.509  0.309  0.691  1.0
  Sn  Sn28  1  0.741  0.171  0.171  1.0
  Sn  Sn29  1  0.741  0.829  0.829  1.0
  Sn  Sn30  1  0.241  0.829  0.171  1.0
  Sn  Sn31  1  0.241  0.171  0.829  1.0
[/CIF]
.