The compound described by Na3Sm9B8O27 crystallizes in the hexagonal P-62m space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(2) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to three equivalent O(4) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Sm(1), and one B(2) atom. In the second O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form distorted corner-sharing OSm4 trigonal pyramids. In the third O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Sm(2), two equivalent Sm(1), and one B(1) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one Sm(2), two equivalent Sm(1), and one B(3) atom. is represented by the CIF card [CIF]
data_Na3Sm9B8O27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.411
_cell_length_b   8.754
_cell_length_c   8.754
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.199
_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  0.000  0.664  0.664  1.0
  Na  Na1  1  0.000  0.000  0.336  1.0
  Na  Na2  1  0.000  0.336  0.000  1.0
  Sm  Sm3  1  0.764  0.348  0.348  1.0
  Sm  Sm4  1  0.764  0.000  0.652  1.0
  Sm  Sm5  1  0.236  0.348  0.348  1.0
  Sm  Sm6  1  0.236  0.000  0.652  1.0
  Sm  Sm7  1  0.764  0.652  0.000  1.0
  Sm  Sm8  1  0.236  0.652  0.000  1.0
  Sm  Sm9  1  0.500  0.718  0.718  1.0
  Sm  Sm10  1  0.500  0.000  0.282  1.0
  Sm  Sm11  1  0.500  0.282  0.000  1.0
  B  B12  1  0.790  0.000  0.000  1.0
  B  B13  1  0.210  0.000  0.000  1.0
  B  B14  1  0.000  0.667  0.333  1.0
  B  B15  1  0.000  0.333  0.667  1.0
  B  B16  1  0.676  0.667  0.333  1.0
  B  B17  1  0.324  0.667  0.333  1.0
  B  B18  1  0.324  0.333  0.667  1.0
  B  B19  1  0.676  0.333  0.667  1.0
  O  O20  1  0.682  0.824  0.334  1.0
  O  O21  1  0.682  0.510  0.176  1.0
  O  O22  1  0.318  0.824  0.334  1.0
  O  O23  1  0.318  0.490  0.666  1.0
  O  O24  1  0.682  0.666  0.490  1.0
  O  O25  1  0.318  0.510  0.176  1.0
  O  O26  1  0.318  0.334  0.824  1.0
  O  O27  1  0.682  0.490  0.666  1.0
  O  O28  1  0.318  0.666  0.490  1.0
  O  O29  1  0.682  0.334  0.824  1.0
  O  O30  1  0.318  0.176  0.510  1.0
  O  O31  1  0.682  0.176  0.510  1.0
  O  O32  1  0.000  0.678  0.179  1.0
  O  O33  1  0.000  0.502  0.322  1.0
  O  O34  1  0.000  0.498  0.821  1.0
  O  O35  1  0.000  0.821  0.498  1.0
  O  O36  1  0.000  0.179  0.678  1.0
  O  O37  1  0.000  0.322  0.502  1.0
  O  O38  1  0.500  0.256  0.256  1.0
  O  O39  1  0.500  0.000  0.744  1.0
  O  O40  1  0.500  0.744  0.000  1.0
  O  O41  1  0.787  0.842  0.842  1.0
  O  O42  1  0.787  0.000  0.158  1.0
  O  O43  1  0.213  0.842  0.842  1.0
  O  O44  1  0.213  0.000  0.158  1.0
  O  O45  1  0.787  0.158  0.000  1.0
  O  O46  1  0.213  0.158  0.000  1.0
[/CIF]
.
The compound described by Na3Sm9B8O27 crystallizes in the hexagonal P-62m space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(2) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to three equivalent O(4) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Sm(1), and one B(2) atom. In the second O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form distorted corner-sharing OSm4 trigonal pyramids. In the third O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Sm(2), two equivalent Sm(1), and one B(1) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one Sm(2), two equivalent Sm(1), and one B(3) atom. is represented by the CIF card [CIF]
data_Na3Sm9B8O27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.411
_cell_length_b   8.754
_cell_length_c   8.754
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.199
_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  0.000  0.664  0.664  1.0
  Na  Na1  1  0.000  0.000  0.336  1.0
  Na  Na2  1  0.000  0.336  0.000  1.0
  Sm  Sm3  1  0.764  0.348  0.348  1.0
  Sm  Sm4  1  0.764  0.000  0.652  1.0
  Sm  Sm5  1  0.236  0.348  0.348  1.0
  Sm  Sm6  1  0.236  0.000  0.652  1.0
  Sm  Sm7  1  0.764  0.652  0.000  1.0
  Sm  Sm8  1  0.236  0.652  0.000  1.0
  Sm  Sm9  1  0.500  0.718  0.718  1.0
  Sm  Sm10  1  0.500  0.000  0.282  1.0
  Sm  Sm11  1  0.500  0.282  0.000  1.0
  B  B12  1  0.790  0.000  0.000  1.0
  B  B13  1  0.210  0.000  0.000  1.0
  B  B14  1  0.000  0.667  0.333  1.0
  B  B15  1  0.000  0.333  0.667  1.0
  B  B16  1  0.676  0.667  0.333  1.0
  B  B17  1  0.324  0.667  0.333  1.0
  B  B18  1  0.324  0.333  0.667  1.0
  B  B19  1  0.676  0.333  0.667  1.0
  O  O20  1  0.682  0.824  0.334  1.0
  O  O21  1  0.682  0.510  0.176  1.0
  O  O22  1  0.318  0.824  0.334  1.0
  O  O23  1  0.318  0.490  0.666  1.0
  O  O24  1  0.682  0.666  0.490  1.0
  O  O25  1  0.318  0.510  0.176  1.0
  O  O26  1  0.318  0.334  0.824  1.0
  O  O27  1  0.682  0.490  0.666  1.0
  O  O28  1  0.318  0.666  0.490  1.0
  O  O29  1  0.682  0.334  0.824  1.0
  O  O30  1  0.318  0.176  0.510  1.0
  O  O31  1  0.682  0.176  0.510  1.0
  O  O32  1  0.000  0.678  0.179  1.0
  O  O33  1  0.000  0.502  0.322  1.0
  O  O34  1  0.000  0.498  0.821  1.0
  O  O35  1  0.000  0.821  0.498  1.0
  O  O36  1  0.000  0.179  0.678  1.0
  O  O37  1  0.000  0.322  0.502  1.0
  O  O38  1  0.500  0.256  0.256  1.0
  O  O39  1  0.500  0.000  0.744  1.0
  O  O40  1  0.500  0.744  0.000  1.0
  O  O41  1  0.787  0.842  0.842  1.0
  O  O42  1  0.787  0.000  0.158  1.0
  O  O43  1  0.213  0.842  0.842  1.0
  O  O44  1  0.213  0.000  0.158  1.0
  O  O45  1  0.787  0.158  0.000  1.0
  O  O46  1  0.213  0.158  0.000  1.0
[/CIF]
.