The compound described by Sm5Si3NO12 crystallizes in the hexagonal P6_3/m space group. There are two 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(2), and three equivalent O(3) atoms. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one N(1), one O(1), one O(2), and four equivalent O(3) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. N(1) is bonded in a trigonal planar geometry to three equivalent Sm(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Sm(2), two equivalent Sm(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sm(2), two equivalent Sm(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Sm(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5Si3NO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.645
_cell_length_b   9.645
_cell_length_c   6.996
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   563.633
_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  0.333  0.667  0.501  1.0
  Sm  Sm1  1  0.667  0.333  0.499  1.0
  Sm  Sm2  1  0.667  0.333  0.001  1.0
  Sm  Sm3  1  0.333  0.667  0.999  1.0
  Sm  Sm4  1  0.229  0.230  0.750  1.0
  Sm  Sm5  1  0.771  0.770  0.250  1.0
  Sm  Sm6  1  0.770  0.999  0.750  1.0
  Sm  Sm7  1  0.230  0.001  0.250  1.0
  Sm  Sm8  1  0.001  0.771  0.750  1.0
  Sm  Sm9  1  0.999  0.229  0.250  1.0
  Si  Si10  1  0.407  0.034  0.750  1.0
  Si  Si11  1  0.593  0.966  0.250  1.0
  Si  Si12  1  0.966  0.373  0.750  1.0
  Si  Si13  1  0.034  0.627  0.250  1.0
  Si  Si14  1  0.627  0.593  0.750  1.0
  Si  Si15  1  0.373  0.407  0.250  1.0
  N  N16  1  0.000  0.000  0.750  1.0
  N  N17  1  0.000  0.000  0.250  1.0
  O  O18  1  0.160  0.493  0.750  1.0
  O  O19  1  0.840  0.507  0.250  1.0
  O  O20  1  0.507  0.667  0.750  1.0
  O  O21  1  0.493  0.333  0.250  1.0
  O  O22  1  0.333  0.840  0.750  1.0
  O  O23  1  0.667  0.160  0.250  1.0
  O  O24  1  0.604  0.136  0.750  1.0
  O  O25  1  0.396  0.864  0.250  1.0
  O  O26  1  0.864  0.468  0.750  1.0
  O  O27  1  0.136  0.532  0.250  1.0
  O  O28  1  0.532  0.396  0.750  1.0
  O  O29  1  0.468  0.604  0.250  1.0
  O  O30  1  0.353  0.096  0.560  1.0
  O  O31  1  0.647  0.904  0.440  1.0
  O  O32  1  0.904  0.256  0.560  1.0
  O  O33  1  0.647  0.904  0.060  1.0
  O  O34  1  0.096  0.744  0.440  1.0
  O  O35  1  0.353  0.096  0.940  1.0
  O  O36  1  0.744  0.647  0.560  1.0
  O  O37  1  0.096  0.744  0.060  1.0
  O  O38  1  0.256  0.353  0.440  1.0
  O  O39  1  0.904  0.256  0.940  1.0
  O  O40  1  0.256  0.353  0.060  1.0
  O  O41  1  0.744  0.647  0.940  1.0
[/CIF]
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The compound described by Sm5Si3NO12 crystallizes in the hexagonal P6_3/m space group. There are two 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(2), and three equivalent O(3) atoms. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one N(1), one O(1), one O(2), and four equivalent O(3) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. N(1) is bonded in a trigonal planar geometry to three equivalent Sm(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Sm(2), two equivalent Sm(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sm(2), two equivalent Sm(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Sm(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5Si3NO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.645
_cell_length_b   9.645
_cell_length_c   6.996
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   563.633
_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  0.333  0.667  0.501  1.0
  Sm  Sm1  1  0.667  0.333  0.499  1.0
  Sm  Sm2  1  0.667  0.333  0.001  1.0
  Sm  Sm3  1  0.333  0.667  0.999  1.0
  Sm  Sm4  1  0.229  0.230  0.750  1.0
  Sm  Sm5  1  0.771  0.770  0.250  1.0
  Sm  Sm6  1  0.770  0.999  0.750  1.0
  Sm  Sm7  1  0.230  0.001  0.250  1.0
  Sm  Sm8  1  0.001  0.771  0.750  1.0
  Sm  Sm9  1  0.999  0.229  0.250  1.0
  Si  Si10  1  0.407  0.034  0.750  1.0
  Si  Si11  1  0.593  0.966  0.250  1.0
  Si  Si12  1  0.966  0.373  0.750  1.0
  Si  Si13  1  0.034  0.627  0.250  1.0
  Si  Si14  1  0.627  0.593  0.750  1.0
  Si  Si15  1  0.373  0.407  0.250  1.0
  N  N16  1  0.000  0.000  0.750  1.0
  N  N17  1  0.000  0.000  0.250  1.0
  O  O18  1  0.160  0.493  0.750  1.0
  O  O19  1  0.840  0.507  0.250  1.0
  O  O20  1  0.507  0.667  0.750  1.0
  O  O21  1  0.493  0.333  0.250  1.0
  O  O22  1  0.333  0.840  0.750  1.0
  O  O23  1  0.667  0.160  0.250  1.0
  O  O24  1  0.604  0.136  0.750  1.0
  O  O25  1  0.396  0.864  0.250  1.0
  O  O26  1  0.864  0.468  0.750  1.0
  O  O27  1  0.136  0.532  0.250  1.0
  O  O28  1  0.532  0.396  0.750  1.0
  O  O29  1  0.468  0.604  0.250  1.0
  O  O30  1  0.353  0.096  0.560  1.0
  O  O31  1  0.647  0.904  0.440  1.0
  O  O32  1  0.904  0.256  0.560  1.0
  O  O33  1  0.647  0.904  0.060  1.0
  O  O34  1  0.096  0.744  0.440  1.0
  O  O35  1  0.353  0.096  0.940  1.0
  O  O36  1  0.744  0.647  0.560  1.0
  O  O37  1  0.096  0.744  0.060  1.0
  O  O38  1  0.256  0.353  0.440  1.0
  O  O39  1  0.904  0.256  0.940  1.0
  O  O40  1  0.256  0.353  0.060  1.0
  O  O41  1  0.744  0.647  0.940  1.0
[/CIF]
.