The compound described by NaSm9Si6(SO12)2 crystallizes in the trigonal P3 space group. Na(1) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(7) atoms. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(4), and three equivalent O(8) atoms. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(4), and three equivalent O(5) atoms. In the third Sm site, Sm(3) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(6) atoms. In the fourth Sm site, Sm(4) is bonded in a 8-coordinate geometry to one S(1), one S(2), one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the fifth Sm site, Sm(5) is bonded in a 5-coordinate geometry to one S(1), one S(2), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(8) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(7) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sm(4) and three equivalent Sm(5) atoms to form face-sharing SSm6 octahedra. In the second S site, S(2) is bonded to three equivalent Sm(4) and three equivalent Sm(5) atoms to form face-sharing SSm6 octahedra. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 4-coordinate geometry to one Sm(3), one Sm(4), one Sm(5), and one Si(2) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Sm(4), one Sm(5), and one Si(2) atom. In the third O site, O(8) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(4), one Sm(5), and one Si(1) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one Sm(4), and one Si(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Sm(3), one Sm(5), and one Si(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Sm(3), one Sm(4), and one Si(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Sm(1), one Sm(2), and one Si(2) atom. In the eighth O site, O(5) is bonded in a 4-coordinate geometry to one Sm(2), one Sm(4), one Sm(5), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSm9Si6(SO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.892
_cell_length_b   9.892
_cell_length_c   6.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   573.851
_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
  Na  Na0  1  0.333  0.667  0.493  1.0
  Sm  Sm1  1  0.000  0.000  0.996  1.0
  Sm  Sm2  1  0.000  0.000  0.503  1.0
  Sm  Sm3  1  0.333  0.667  0.008  1.0
  Sm  Sm4  1  0.414  0.322  0.251  1.0
  Sm  Sm5  1  0.908  0.586  0.251  1.0
  Sm  Sm6  1  0.678  0.092  0.251  1.0
  Sm  Sm7  1  0.922  0.353  0.748  1.0
  Sm  Sm8  1  0.431  0.078  0.748  1.0
  Sm  Sm9  1  0.647  0.569  0.748  1.0
  Si  Si10  1  0.256  0.955  0.247  1.0
  Si  Si11  1  0.698  0.744  0.247  1.0
  Si  Si12  1  0.045  0.302  0.247  1.0
  Si  Si13  1  0.080  0.717  0.751  1.0
  Si  Si14  1  0.636  0.920  0.751  1.0
  Si  Si15  1  0.283  0.364  0.751  1.0
  S  S16  1  0.667  0.333  0.492  1.0
  S  S17  1  0.667  0.333  0.001  1.0
  O  O18  1  0.062  0.862  0.250  1.0
  O  O19  1  0.800  0.938  0.250  1.0
  O  O20  1  0.138  0.200  0.250  1.0
  O  O21  1  0.271  0.811  0.759  1.0
  O  O22  1  0.540  0.729  0.759  1.0
  O  O23  1  0.189  0.460  0.759  1.0
  O  O24  1  0.331  0.843  0.240  1.0
  O  O25  1  0.512  0.669  0.240  1.0
  O  O26  1  0.157  0.488  0.240  1.0
  O  O27  1  0.012  0.837  0.750  1.0
  O  O28  1  0.825  0.988  0.750  1.0
  O  O29  1  0.163  0.175  0.750  1.0
  O  O30  1  0.304  0.069  0.444  1.0
  O  O31  1  0.765  0.696  0.444  1.0
  O  O32  1  0.931  0.235  0.444  1.0
  O  O33  1  0.025  0.599  0.944  1.0
  O  O34  1  0.574  0.975  0.944  1.0
  O  O35  1  0.401  0.426  0.944  1.0
  O  O36  1  0.010  0.595  0.564  1.0
  O  O37  1  0.584  0.990  0.564  1.0
  O  O38  1  0.405  0.416  0.564  1.0
  O  O39  1  0.304  0.074  0.055  1.0
  O  O40  1  0.770  0.696  0.055  1.0
  O  O41  1  0.926  0.230  0.055  1.0
[/CIF]
.
The compound described by NaSm9Si6(SO12)2 crystallizes in the trigonal P3 space group. Na(1) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(7) atoms. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(4), and three equivalent O(8) atoms. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(4), and three equivalent O(5) atoms. In the third Sm site, Sm(3) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(6) atoms. In the fourth Sm site, Sm(4) is bonded in a 8-coordinate geometry to one S(1), one S(2), one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the fifth Sm site, Sm(5) is bonded in a 5-coordinate geometry to one S(1), one S(2), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(8) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(7) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sm(4) and three equivalent Sm(5) atoms to form face-sharing SSm6 octahedra. In the second S site, S(2) is bonded to three equivalent Sm(4) and three equivalent Sm(5) atoms to form face-sharing SSm6 octahedra. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 4-coordinate geometry to one Sm(3), one Sm(4), one Sm(5), and one Si(2) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Sm(4), one Sm(5), and one Si(2) atom. In the third O site, O(8) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(4), one Sm(5), and one Si(1) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one Sm(4), and one Si(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Sm(3), one Sm(5), and one Si(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Sm(3), one Sm(4), and one Si(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Sm(1), one Sm(2), and one Si(2) atom. In the eighth O site, O(5) is bonded in a 4-coordinate geometry to one Sm(2), one Sm(4), one Sm(5), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSm9Si6(SO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.892
_cell_length_b   9.892
_cell_length_c   6.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   573.851
_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
  Na  Na0  1  0.333  0.667  0.493  1.0
  Sm  Sm1  1  0.000  0.000  0.996  1.0
  Sm  Sm2  1  0.000  0.000  0.503  1.0
  Sm  Sm3  1  0.333  0.667  0.008  1.0
  Sm  Sm4  1  0.414  0.322  0.251  1.0
  Sm  Sm5  1  0.908  0.586  0.251  1.0
  Sm  Sm6  1  0.678  0.092  0.251  1.0
  Sm  Sm7  1  0.922  0.353  0.748  1.0
  Sm  Sm8  1  0.431  0.078  0.748  1.0
  Sm  Sm9  1  0.647  0.569  0.748  1.0
  Si  Si10  1  0.256  0.955  0.247  1.0
  Si  Si11  1  0.698  0.744  0.247  1.0
  Si  Si12  1  0.045  0.302  0.247  1.0
  Si  Si13  1  0.080  0.717  0.751  1.0
  Si  Si14  1  0.636  0.920  0.751  1.0
  Si  Si15  1  0.283  0.364  0.751  1.0
  S  S16  1  0.667  0.333  0.492  1.0
  S  S17  1  0.667  0.333  0.001  1.0
  O  O18  1  0.062  0.862  0.250  1.0
  O  O19  1  0.800  0.938  0.250  1.0
  O  O20  1  0.138  0.200  0.250  1.0
  O  O21  1  0.271  0.811  0.759  1.0
  O  O22  1  0.540  0.729  0.759  1.0
  O  O23  1  0.189  0.460  0.759  1.0
  O  O24  1  0.331  0.843  0.240  1.0
  O  O25  1  0.512  0.669  0.240  1.0
  O  O26  1  0.157  0.488  0.240  1.0
  O  O27  1  0.012  0.837  0.750  1.0
  O  O28  1  0.825  0.988  0.750  1.0
  O  O29  1  0.163  0.175  0.750  1.0
  O  O30  1  0.304  0.069  0.444  1.0
  O  O31  1  0.765  0.696  0.444  1.0
  O  O32  1  0.931  0.235  0.444  1.0
  O  O33  1  0.025  0.599  0.944  1.0
  O  O34  1  0.574  0.975  0.944  1.0
  O  O35  1  0.401  0.426  0.944  1.0
  O  O36  1  0.010  0.595  0.564  1.0
  O  O37  1  0.584  0.990  0.564  1.0
  O  O38  1  0.405  0.416  0.564  1.0
  O  O39  1  0.304  0.074  0.055  1.0
  O  O40  1  0.770  0.696  0.055  1.0
  O  O41  1  0.926  0.230  0.055  1.0
[/CIF]
.