The material described by Sm6Ni2Si3 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(3), and two equivalent Si(4) atoms. In the second Sm site, Sm(2) is bonded in a 5-coordinate geometry to one Ni(2), two equivalent Ni(1), and two equivalent Si(5) atoms. In the third Sm site, Sm(3) is bonded in a 5-coordinate geometry to one Ni(3), two equivalent Ni(1), and two equivalent Si(6) atoms. In the fourth Sm site, Sm(4) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), and one Si(6) atom. In the fifth Sm site, Sm(5) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), and one Si(4) atom. In the sixth Sm site, Sm(6) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(5), and two equivalent Si(3) atoms. In the seventh Sm site, Sm(7) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(2), two equivalent Si(5), and two equivalent Si(6) atoms. In the eighth Sm site, Sm(8) is bonded in a 7-coordinate geometry to one Ni(2), two equivalent Si(2), two equivalent Si(4), and two equivalent Si(6) atoms. In the ninth Sm site, Sm(9) is bonded in a 7-coordinate geometry to one Ni(3), two equivalent Si(2), two equivalent Si(4), and two equivalent Si(5) atoms. In the tenth Sm site, Sm(10) is bonded in a 7-coordinate geometry to two equivalent Ni(3), one Si(6), two equivalent Si(1), and two equivalent Si(3) atoms. In the eleventh Sm site, Sm(11) is bonded in a 7-coordinate geometry to two equivalent Ni(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the twelfth Sm site, Sm(12) is bonded in a 7-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), one Si(5), and two equivalent Si(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Sm(1), one Sm(2), one Sm(3), one Sm(4), one Sm(5), one Sm(6), and two equivalent Ni(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Sm(2), one Sm(8), two equivalent Sm(11), two equivalent Sm(12), two equivalent Sm(4), and one Si(1) atom. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Sm(3), one Sm(9), two equivalent Sm(10), two equivalent Sm(12), two equivalent Sm(5), and one Si(1) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sm(10), two equivalent Sm(11), two equivalent Sm(12), one Ni(2), one Ni(3), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sm(7), two equivalent Sm(8), two equivalent Sm(9), one Si(4), one Si(5), and one Si(6) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Sm(1), one Sm(7), two equivalent Sm(10), two equivalent Sm(11), two equivalent Sm(6), and one Si(1) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Sm(11), one Sm(5), two equivalent Sm(1), two equivalent Sm(8), two equivalent Sm(9), and one Si(2) atom. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to one Sm(12), one Sm(6), two equivalent Sm(2), two equivalent Sm(7), two equivalent Sm(9), and one Si(2) atom. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to one Sm(10), one Sm(4), two equivalent Sm(3), two equivalent Sm(7), two equivalent Sm(8), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm6Si3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.441
_cell_length_b   11.532
_cell_length_c   11.585
_cell_angle_alpha   61.466
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.293
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.000  0.240  0.783  1.0
  Sm  Sm1  1  0.000  0.783  0.982  1.0
  Sm  Sm2  1  0.000  0.980  0.242  1.0
  Sm  Sm3  1  0.500  0.750  0.226  1.0
  Sm  Sm4  1  0.500  0.228  0.024  1.0
  Sm  Sm5  1  0.500  0.020  0.759  1.0
  Sm  Sm6  1  0.000  0.861  0.623  1.0
  Sm  Sm7  1  0.000  0.618  0.513  1.0
  Sm  Sm8  1  0.000  0.517  0.864  1.0
  Sm  Sm9  1  0.500  0.133  0.383  1.0
  Sm  Sm10  1  0.500  0.374  0.488  1.0
  Sm  Sm11  1  0.500  0.480  0.139  1.0
  Si  Si12  1  0.000  0.337  0.327  1.0
  Si  Si13  1  0.500  0.666  0.666  1.0
  Si  Si14  1  0.000  0.157  0.562  1.0
  Si  Si15  1  0.500  0.438  0.716  1.0
  Si  Si16  1  0.500  0.722  0.842  1.0
  Si  Si17  1  0.500  0.843  0.441  1.0
  Ni  Ni18  1  0.748  0.001  0.004  1.0
  Ni  Ni19  1  0.252  0.001  0.004  1.0
  Ni  Ni20  1  0.000  0.567  0.263  1.0
  Ni  Ni21  1  0.000  0.285  0.151  1.0
[/CIF]
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The material described by Sm6Ni2Si3 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(3), and two equivalent Si(4) atoms. In the second Sm site, Sm(2) is bonded in a 5-coordinate geometry to one Ni(2), two equivalent Ni(1), and two equivalent Si(5) atoms. In the third Sm site, Sm(3) is bonded in a 5-coordinate geometry to one Ni(3), two equivalent Ni(1), and two equivalent Si(6) atoms. In the fourth Sm site, Sm(4) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), and one Si(6) atom. In the fifth Sm site, Sm(5) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), and one Si(4) atom. In the sixth Sm site, Sm(6) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(5), and two equivalent Si(3) atoms. In the seventh Sm site, Sm(7) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(2), two equivalent Si(5), and two equivalent Si(6) atoms. In the eighth Sm site, Sm(8) is bonded in a 7-coordinate geometry to one Ni(2), two equivalent Si(2), two equivalent Si(4), and two equivalent Si(6) atoms. In the ninth Sm site, Sm(9) is bonded in a 7-coordinate geometry to one Ni(3), two equivalent Si(2), two equivalent Si(4), and two equivalent Si(5) atoms. In the tenth Sm site, Sm(10) is bonded in a 7-coordinate geometry to two equivalent Ni(3), one Si(6), two equivalent Si(1), and two equivalent Si(3) atoms. In the eleventh Sm site, Sm(11) is bonded in a 7-coordinate geometry to two equivalent Ni(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the twelfth Sm site, Sm(12) is bonded in a 7-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), one Si(5), and two equivalent Si(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Sm(1), one Sm(2), one Sm(3), one Sm(4), one Sm(5), one Sm(6), and two equivalent Ni(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Sm(2), one Sm(8), two equivalent Sm(11), two equivalent Sm(12), two equivalent Sm(4), and one Si(1) atom. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Sm(3), one Sm(9), two equivalent Sm(10), two equivalent Sm(12), two equivalent Sm(5), and one Si(1) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sm(10), two equivalent Sm(11), two equivalent Sm(12), one Ni(2), one Ni(3), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sm(7), two equivalent Sm(8), two equivalent Sm(9), one Si(4), one Si(5), and one Si(6) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Sm(1), one Sm(7), two equivalent Sm(10), two equivalent Sm(11), two equivalent Sm(6), and one Si(1) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Sm(11), one Sm(5), two equivalent Sm(1), two equivalent Sm(8), two equivalent Sm(9), and one Si(2) atom. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to one Sm(12), one Sm(6), two equivalent Sm(2), two equivalent Sm(7), two equivalent Sm(9), and one Si(2) atom. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to one Sm(10), one Sm(4), two equivalent Sm(3), two equivalent Sm(7), two equivalent Sm(8), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm6Si3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.441
_cell_length_b   11.532
_cell_length_c   11.585
_cell_angle_alpha   61.466
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.293
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.000  0.240  0.783  1.0
  Sm  Sm1  1  0.000  0.783  0.982  1.0
  Sm  Sm2  1  0.000  0.980  0.242  1.0
  Sm  Sm3  1  0.500  0.750  0.226  1.0
  Sm  Sm4  1  0.500  0.228  0.024  1.0
  Sm  Sm5  1  0.500  0.020  0.759  1.0
  Sm  Sm6  1  0.000  0.861  0.623  1.0
  Sm  Sm7  1  0.000  0.618  0.513  1.0
  Sm  Sm8  1  0.000  0.517  0.864  1.0
  Sm  Sm9  1  0.500  0.133  0.383  1.0
  Sm  Sm10  1  0.500  0.374  0.488  1.0
  Sm  Sm11  1  0.500  0.480  0.139  1.0
  Si  Si12  1  0.000  0.337  0.327  1.0
  Si  Si13  1  0.500  0.666  0.666  1.0
  Si  Si14  1  0.000  0.157  0.562  1.0
  Si  Si15  1  0.500  0.438  0.716  1.0
  Si  Si16  1  0.500  0.722  0.842  1.0
  Si  Si17  1  0.500  0.843  0.441  1.0
  Ni  Ni18  1  0.748  0.001  0.004  1.0
  Ni  Ni19  1  0.252  0.001  0.004  1.0
  Ni  Ni20  1  0.000  0.567  0.263  1.0
  Ni  Ni21  1  0.000  0.285  0.151  1.0
[/CIF]
.