The material described by YNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 14-coordinate geometry to one Ni(2), two equivalent Ni(3), three equivalent Ni(1), one Sn(6), two equivalent Sn(1), two equivalent Sn(4), and three equivalent Sn(3) atoms. In the second Y site, Y(2) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Sn(1), one Sn(2), one Sn(3), two equivalent Sn(4), two equivalent Sn(5), and two equivalent Sn(6) atoms. In the third Y site, Y(3) is bonded in a 13-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), one Sn(1), one Sn(6), two equivalent Sn(4), two equivalent Sn(5), and three equivalent Sn(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Y(2), three equivalent Y(1), one Sn(4), one Sn(5), and three equivalent Sn(3) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Y(1), two equivalent Y(3), one Sn(4), one Sn(5), one Sn(6), and two equivalent Sn(1) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(3), one Sn(1), one Sn(2), one Sn(4), and two equivalent Sn(6) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 8-coordinate geometry to one Y(2), three equivalent Y(1), three equivalent Ni(1), and one Sn(1) atom. In the second Sn site, Sn(4) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Y(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the third Sn site, Sn(5) is bonded in a 6-coordinate geometry to two equivalent Y(2), two equivalent Y(3), one Ni(1), and one Ni(2) atom. In the fourth Sn site, Sn(6) is bonded in a 7-coordinate geometry to one Y(1), one Y(3), two equivalent Y(2), one Ni(2), and two equivalent Ni(3) atoms. In the fifth Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Y(2), one Y(3), two equivalent Y(1), one Ni(3), two equivalent Ni(2), and one Sn(3) atom. In the sixth Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Y(2), three equivalent Y(3), and one Ni(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.447
_cell_length_b   14.723
_cell_length_c   16.117
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1055.243
_cell_formula_units_Z   12
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
  Y  Y0  1  0.250  0.974  0.349  1.0
  Y  Y1  1  0.250  0.526  0.849  1.0
  Y  Y2  1  0.750  0.026  0.651  1.0
  Y  Y3  1  0.750  0.474  0.151  1.0
  Y  Y4  1  0.250  0.271  0.874  1.0
  Y  Y5  1  0.250  0.229  0.374  1.0
  Y  Y6  1  0.750  0.729  0.126  1.0
  Y  Y7  1  0.750  0.771  0.626  1.0
  Y  Y8  1  0.250  0.394  0.645  1.0
  Y  Y9  1  0.250  0.106  0.145  1.0
  Y  Y10  1  0.750  0.606  0.355  1.0
  Y  Y11  1  0.750  0.894  0.855  1.0
  Ni  Ni12  1  0.250  0.605  0.051  1.0
  Ni  Ni13  1  0.250  0.895  0.551  1.0
  Ni  Ni14  1  0.750  0.395  0.949  1.0
  Ni  Ni15  1  0.750  0.105  0.449  1.0
  Ni  Ni16  1  0.250  0.749  0.304  1.0
  Ni  Ni17  1  0.250  0.751  0.804  1.0
  Ni  Ni18  1  0.750  0.251  0.696  1.0
  Ni  Ni19  1  0.750  0.249  0.196  1.0
  Ni  Ni20  1  0.250  0.045  0.799  1.0
  Ni  Ni21  1  0.250  0.455  0.299  1.0
  Ni  Ni22  1  0.750  0.955  0.201  1.0
  Ni  Ni23  1  0.750  0.545  0.701  1.0
  Sn  Sn24  1  0.250  0.175  0.684  1.0
  Sn  Sn25  1  0.250  0.325  0.184  1.0
  Sn  Sn26  1  0.750  0.825  0.316  1.0
  Sn  Sn27  1  0.750  0.675  0.816  1.0
  Sn  Sn28  1  0.250  0.050  0.955  1.0
  Sn  Sn29  1  0.250  0.450  0.455  1.0
  Sn  Sn30  1  0.750  0.950  0.045  1.0
  Sn  Sn31  1  0.750  0.550  0.545  1.0
  Sn  Sn32  1  0.250  0.078  0.520  1.0
  Sn  Sn33  1  0.250  0.422  0.020  1.0
  Sn  Sn34  1  0.750  0.922  0.480  1.0
  Sn  Sn35  1  0.750  0.578  0.980  1.0
  Sn  Sn36  1  0.250  0.606  0.214  1.0
  Sn  Sn37  1  0.250  0.894  0.714  1.0
  Sn  Sn38  1  0.750  0.394  0.786  1.0
  Sn  Sn39  1  0.750  0.106  0.286  1.0
  Sn  Sn40  1  0.250  0.739  0.466  1.0
  Sn  Sn41  1  0.250  0.761  0.966  1.0
  Sn  Sn42  1  0.750  0.261  0.534  1.0
  Sn  Sn43  1  0.750  0.239  0.034  1.0
  Sn  Sn44  1  0.250  0.872  0.174  1.0
  Sn  Sn45  1  0.250  0.628  0.674  1.0
  Sn  Sn46  1  0.750  0.128  0.826  1.0
  Sn  Sn47  1  0.750  0.372  0.326  1.0
[/CIF]
.
The material described by YNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 14-coordinate geometry to one Ni(2), two equivalent Ni(3), three equivalent Ni(1), one Sn(6), two equivalent Sn(1), two equivalent Sn(4), and three equivalent Sn(3) atoms. In the second Y site, Y(2) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Sn(1), one Sn(2), one Sn(3), two equivalent Sn(4), two equivalent Sn(5), and two equivalent Sn(6) atoms. In the third Y site, Y(3) is bonded in a 13-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), one Sn(1), one Sn(6), two equivalent Sn(4), two equivalent Sn(5), and three equivalent Sn(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Y(2), three equivalent Y(1), one Sn(4), one Sn(5), and three equivalent Sn(3) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Y(1), two equivalent Y(3), one Sn(4), one Sn(5), one Sn(6), and two equivalent Sn(1) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(3), one Sn(1), one Sn(2), one Sn(4), and two equivalent Sn(6) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 8-coordinate geometry to one Y(2), three equivalent Y(1), three equivalent Ni(1), and one Sn(1) atom. In the second Sn site, Sn(4) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Y(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the third Sn site, Sn(5) is bonded in a 6-coordinate geometry to two equivalent Y(2), two equivalent Y(3), one Ni(1), and one Ni(2) atom. In the fourth Sn site, Sn(6) is bonded in a 7-coordinate geometry to one Y(1), one Y(3), two equivalent Y(2), one Ni(2), and two equivalent Ni(3) atoms. In the fifth Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Y(2), one Y(3), two equivalent Y(1), one Ni(3), two equivalent Ni(2), and one Sn(3) atom. In the sixth Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Y(2), three equivalent Y(3), and one Ni(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.447
_cell_length_b   14.723
_cell_length_c   16.117
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1055.243
_cell_formula_units_Z   12
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
  Y  Y0  1  0.250  0.974  0.349  1.0
  Y  Y1  1  0.250  0.526  0.849  1.0
  Y  Y2  1  0.750  0.026  0.651  1.0
  Y  Y3  1  0.750  0.474  0.151  1.0
  Y  Y4  1  0.250  0.271  0.874  1.0
  Y  Y5  1  0.250  0.229  0.374  1.0
  Y  Y6  1  0.750  0.729  0.126  1.0
  Y  Y7  1  0.750  0.771  0.626  1.0
  Y  Y8  1  0.250  0.394  0.645  1.0
  Y  Y9  1  0.250  0.106  0.145  1.0
  Y  Y10  1  0.750  0.606  0.355  1.0
  Y  Y11  1  0.750  0.894  0.855  1.0
  Ni  Ni12  1  0.250  0.605  0.051  1.0
  Ni  Ni13  1  0.250  0.895  0.551  1.0
  Ni  Ni14  1  0.750  0.395  0.949  1.0
  Ni  Ni15  1  0.750  0.105  0.449  1.0
  Ni  Ni16  1  0.250  0.749  0.304  1.0
  Ni  Ni17  1  0.250  0.751  0.804  1.0
  Ni  Ni18  1  0.750  0.251  0.696  1.0
  Ni  Ni19  1  0.750  0.249  0.196  1.0
  Ni  Ni20  1  0.250  0.045  0.799  1.0
  Ni  Ni21  1  0.250  0.455  0.299  1.0
  Ni  Ni22  1  0.750  0.955  0.201  1.0
  Ni  Ni23  1  0.750  0.545  0.701  1.0
  Sn  Sn24  1  0.250  0.175  0.684  1.0
  Sn  Sn25  1  0.250  0.325  0.184  1.0
  Sn  Sn26  1  0.750  0.825  0.316  1.0
  Sn  Sn27  1  0.750  0.675  0.816  1.0
  Sn  Sn28  1  0.250  0.050  0.955  1.0
  Sn  Sn29  1  0.250  0.450  0.455  1.0
  Sn  Sn30  1  0.750  0.950  0.045  1.0
  Sn  Sn31  1  0.750  0.550  0.545  1.0
  Sn  Sn32  1  0.250  0.078  0.520  1.0
  Sn  Sn33  1  0.250  0.422  0.020  1.0
  Sn  Sn34  1  0.750  0.922  0.480  1.0
  Sn  Sn35  1  0.750  0.578  0.980  1.0
  Sn  Sn36  1  0.250  0.606  0.214  1.0
  Sn  Sn37  1  0.250  0.894  0.714  1.0
  Sn  Sn38  1  0.750  0.394  0.786  1.0
  Sn  Sn39  1  0.750  0.106  0.286  1.0
  Sn  Sn40  1  0.250  0.739  0.466  1.0
  Sn  Sn41  1  0.250  0.761  0.966  1.0
  Sn  Sn42  1  0.750  0.261  0.534  1.0
  Sn  Sn43  1  0.750  0.239  0.034  1.0
  Sn  Sn44  1  0.250  0.872  0.174  1.0
  Sn  Sn45  1  0.250  0.628  0.674  1.0
  Sn  Sn46  1  0.750  0.128  0.826  1.0
  Sn  Sn47  1  0.750  0.372  0.326  1.0
[/CIF]
.