The compound described by BaSm4(SiO4)3Se crystallizes in the hexagonal P6_3 space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. In the third Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the fourth Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. Se(1) is bonded to six Sm(1,1,1) atoms to form face-sharing SeSm6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1); two Sm(1,1); and one Si(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two Sm(1,1) and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(1), one Sm(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Sm(1), one Sm(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_BaSm4Si3SeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.043
_cell_length_b   10.043
_cell_length_c   6.976
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   609.406
_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
  Ba  Ba0  1  0.333  0.667  0.503  1.0
  Ba  Ba1  1  0.667  0.333  0.003  1.0
  Sm  Sm2  1  0.015  0.758  0.247  1.0
  Sm  Sm3  1  0.333  0.667  0.997  1.0
  Sm  Sm4  1  0.242  0.258  0.247  1.0
  Sm  Sm5  1  0.742  0.985  0.247  1.0
  Sm  Sm6  1  0.258  0.015  0.747  1.0
  Sm  Sm7  1  0.758  0.742  0.747  1.0
  Sm  Sm8  1  0.667  0.333  0.497  1.0
  Sm  Sm9  1  0.985  0.242  0.747  1.0
  Si  Si10  1  0.028  0.404  0.251  1.0
  Si  Si11  1  0.377  0.972  0.251  1.0
  Si  Si12  1  0.404  0.377  0.751  1.0
  Si  Si13  1  0.596  0.623  0.251  1.0
  Si  Si14  1  0.623  0.028  0.751  1.0
  Si  Si15  1  0.972  0.596  0.751  1.0
  Se  Se16  1  0.000  0.000  0.999  1.0
  Se  Se17  1  0.000  0.000  0.499  1.0
  O  O18  1  0.257  0.899  0.435  1.0
  O  O19  1  0.264  0.915  0.061  1.0
  O  O20  1  0.157  0.671  0.779  1.0
  O  O21  1  0.117  0.595  0.227  1.0
  O  O22  1  0.085  0.349  0.061  1.0
  O  O23  1  0.101  0.358  0.435  1.0
  O  O24  1  0.478  0.883  0.227  1.0
  O  O25  1  0.514  0.843  0.779  1.0
  O  O26  1  0.329  0.486  0.779  1.0
  O  O27  1  0.405  0.522  0.227  1.0
  O  O28  1  0.349  0.264  0.561  1.0
  O  O29  1  0.358  0.257  0.935  1.0
  O  O30  1  0.651  0.736  0.061  1.0
  O  O31  1  0.642  0.743  0.435  1.0
  O  O32  1  0.595  0.478  0.727  1.0
  O  O33  1  0.671  0.514  0.279  1.0
  O  O34  1  0.486  0.157  0.279  1.0
  O  O35  1  0.522  0.117  0.727  1.0
  O  O36  1  0.915  0.651  0.561  1.0
  O  O37  1  0.899  0.642  0.935  1.0
  O  O38  1  0.883  0.405  0.727  1.0
  O  O39  1  0.843  0.329  0.279  1.0
  O  O40  1  0.743  0.101  0.935  1.0
  O  O41  1  0.736  0.085  0.561  1.0
[/CIF]
.
The compound described by BaSm4(SiO4)3Se crystallizes in the hexagonal P6_3 space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. In the third Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the fourth Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. Se(1) is bonded to six Sm(1,1,1) atoms to form face-sharing SeSm6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1); two Sm(1,1); and one Si(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two Sm(1,1) and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(1), one Sm(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Sm(1), one Sm(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_BaSm4Si3SeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.043
_cell_length_b   10.043
_cell_length_c   6.976
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   609.406
_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
  Ba  Ba0  1  0.333  0.667  0.503  1.0
  Ba  Ba1  1  0.667  0.333  0.003  1.0
  Sm  Sm2  1  0.015  0.758  0.247  1.0
  Sm  Sm3  1  0.333  0.667  0.997  1.0
  Sm  Sm4  1  0.242  0.258  0.247  1.0
  Sm  Sm5  1  0.742  0.985  0.247  1.0
  Sm  Sm6  1  0.258  0.015  0.747  1.0
  Sm  Sm7  1  0.758  0.742  0.747  1.0
  Sm  Sm8  1  0.667  0.333  0.497  1.0
  Sm  Sm9  1  0.985  0.242  0.747  1.0
  Si  Si10  1  0.028  0.404  0.251  1.0
  Si  Si11  1  0.377  0.972  0.251  1.0
  Si  Si12  1  0.404  0.377  0.751  1.0
  Si  Si13  1  0.596  0.623  0.251  1.0
  Si  Si14  1  0.623  0.028  0.751  1.0
  Si  Si15  1  0.972  0.596  0.751  1.0
  Se  Se16  1  0.000  0.000  0.999  1.0
  Se  Se17  1  0.000  0.000  0.499  1.0
  O  O18  1  0.257  0.899  0.435  1.0
  O  O19  1  0.264  0.915  0.061  1.0
  O  O20  1  0.157  0.671  0.779  1.0
  O  O21  1  0.117  0.595  0.227  1.0
  O  O22  1  0.085  0.349  0.061  1.0
  O  O23  1  0.101  0.358  0.435  1.0
  O  O24  1  0.478  0.883  0.227  1.0
  O  O25  1  0.514  0.843  0.779  1.0
  O  O26  1  0.329  0.486  0.779  1.0
  O  O27  1  0.405  0.522  0.227  1.0
  O  O28  1  0.349  0.264  0.561  1.0
  O  O29  1  0.358  0.257  0.935  1.0
  O  O30  1  0.651  0.736  0.061  1.0
  O  O31  1  0.642  0.743  0.435  1.0
  O  O32  1  0.595  0.478  0.727  1.0
  O  O33  1  0.671  0.514  0.279  1.0
  O  O34  1  0.486  0.157  0.279  1.0
  O  O35  1  0.522  0.117  0.727  1.0
  O  O36  1  0.915  0.651  0.561  1.0
  O  O37  1  0.899  0.642  0.935  1.0
  O  O38  1  0.883  0.405  0.727  1.0
  O  O39  1  0.843  0.329  0.279  1.0
  O  O40  1  0.743  0.101  0.935  1.0
  O  O41  1  0.736  0.085  0.561  1.0
[/CIF]
.