The compound described by NaSm2Cl6 crystallizes in the trigonal P3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted trigonal planar geometry to three equivalent Cl(3) and six equivalent Cl(4) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent Cl(1) and three equivalent Cl(2) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to three equivalent Cl(5) and three equivalent Cl(6) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one Cl(2), one Cl(3), one Cl(6), two equivalent Cl(1), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(4), one Cl(5), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(6) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Na(2), one Sm(2), and two equivalent Sm(1) atoms to form a mixture of distorted edge and corner-sharing ClNaSm3 tetrahedra. In the second Cl site, Cl(2) is bonded to one Na(2), one Sm(1), and two equivalent Sm(2) atoms to form a mixture of distorted edge and corner-sharing ClNaSm3 tetrahedra. In the third Cl site, Cl(3) is bonded to one Na(1), one Sm(1), and two equivalent Sm(2) atoms to form a mixture of distorted edge and corner-sharing ClNaSm3 tetrahedra. In the fourth Cl site, Cl(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Sm(2), and two equivalent Sm(1) atoms. In the fifth Cl site, Cl(5) is bonded to one Na(3), one Sm(2), and two equivalent Sm(1) atoms to form a mixture of distorted edge and corner-sharing ClNaSm3 tetrahedra. In the sixth Cl site, Cl(6) is bonded to one Na(3), one Sm(1), and two equivalent Sm(2) atoms to form a mixture of distorted edge and corner-sharing ClNaSm3 tetrahedra. is represented by the CIF file [CIF]
data_NaSm2Cl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.894
_cell_length_b   13.894
_cell_length_c   3.812
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   637.342
_cell_formula_units_Z   3
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  0.000  0.752  1.0
  Na  Na1  1  0.667  0.333  0.006  1.0
  Na  Na2  1  0.333  0.667  0.501  1.0
  Sm  Sm3  1  0.001  0.670  0.750  1.0
  Sm  Sm4  1  0.336  1.000  0.250  1.0
  Sm  Sm5  1  0.669  0.999  0.750  1.0
  Sm  Sm6  1  0.000  0.337  0.250  1.0
  Sm  Sm7  1  0.330  0.331  0.750  1.0
  Sm  Sm8  1  0.663  0.664  0.250  1.0
  Cl  Cl9  1  0.439  0.266  0.249  1.0
  Cl  Cl10  1  0.596  0.491  0.750  1.0
  Cl  Cl11  1  0.827  0.561  0.249  1.0
  Cl  Cl12  1  0.837  0.765  0.749  1.0
  Cl  Cl13  1  0.066  0.845  0.250  1.0
  Cl  Cl14  1  0.105  0.596  0.251  1.0
  Cl  Cl15  1  0.235  0.072  0.749  1.0
  Cl  Cl16  1  0.258  0.824  0.749  1.0
  Cl  Cl17  1  0.491  0.895  0.251  1.0
  Cl  Cl18  1  0.509  0.105  0.750  1.0
  Cl  Cl19  1  0.734  0.173  0.249  1.0
  Cl  Cl20  1  0.779  0.934  0.250  1.0
  Cl  Cl21  1  0.895  0.404  0.750  1.0
  Cl  Cl22  1  0.928  0.163  0.749  1.0
  Cl  Cl23  1  0.155  0.221  0.250  1.0
  Cl  Cl24  1  0.176  0.434  0.749  1.0
  Cl  Cl25  1  0.404  0.509  0.251  1.0
  Cl  Cl26  1  0.566  0.742  0.749  1.0
[/CIF]
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The compound described by NaSm2Cl6 crystallizes in the trigonal P3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted trigonal planar geometry to three equivalent Cl(3) and six equivalent Cl(4) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent Cl(1) and three equivalent Cl(2) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to three equivalent Cl(5) and three equivalent Cl(6) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one Cl(2), one Cl(3), one Cl(6), two equivalent Cl(1), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(4), one Cl(5), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(6) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Na(2), one Sm(2), and two equivalent Sm(1) atoms to form a mixture of distorted edge and corner-sharing ClNaSm3 tetrahedra. In the second Cl site, Cl(2) is bonded to one Na(2), one Sm(1), and two equivalent Sm(2) atoms to form a mixture of distorted edge and corner-sharing ClNaSm3 tetrahedra. In the third Cl site, Cl(3) is bonded to one Na(1), one Sm(1), and two equivalent Sm(2) atoms to form a mixture of distorted edge and corner-sharing ClNaSm3 tetrahedra. In the fourth Cl site, Cl(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Sm(2), and two equivalent Sm(1) atoms. In the fifth Cl site, Cl(5) is bonded to one Na(3), one Sm(2), and two equivalent Sm(1) atoms to form a mixture of distorted edge and corner-sharing ClNaSm3 tetrahedra. In the sixth Cl site, Cl(6) is bonded to one Na(3), one Sm(1), and two equivalent Sm(2) atoms to form a mixture of distorted edge and corner-sharing ClNaSm3 tetrahedra. is represented by the CIF file [CIF]
data_NaSm2Cl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.894
_cell_length_b   13.894
_cell_length_c   3.812
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   637.342
_cell_formula_units_Z   3
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  0.000  0.752  1.0
  Na  Na1  1  0.667  0.333  0.006  1.0
  Na  Na2  1  0.333  0.667  0.501  1.0
  Sm  Sm3  1  0.001  0.670  0.750  1.0
  Sm  Sm4  1  0.336  1.000  0.250  1.0
  Sm  Sm5  1  0.669  0.999  0.750  1.0
  Sm  Sm6  1  0.000  0.337  0.250  1.0
  Sm  Sm7  1  0.330  0.331  0.750  1.0
  Sm  Sm8  1  0.663  0.664  0.250  1.0
  Cl  Cl9  1  0.439  0.266  0.249  1.0
  Cl  Cl10  1  0.596  0.491  0.750  1.0
  Cl  Cl11  1  0.827  0.561  0.249  1.0
  Cl  Cl12  1  0.837  0.765  0.749  1.0
  Cl  Cl13  1  0.066  0.845  0.250  1.0
  Cl  Cl14  1  0.105  0.596  0.251  1.0
  Cl  Cl15  1  0.235  0.072  0.749  1.0
  Cl  Cl16  1  0.258  0.824  0.749  1.0
  Cl  Cl17  1  0.491  0.895  0.251  1.0
  Cl  Cl18  1  0.509  0.105  0.750  1.0
  Cl  Cl19  1  0.734  0.173  0.249  1.0
  Cl  Cl20  1  0.779  0.934  0.250  1.0
  Cl  Cl21  1  0.895  0.404  0.750  1.0
  Cl  Cl22  1  0.928  0.163  0.749  1.0
  Cl  Cl23  1  0.155  0.221  0.250  1.0
  Cl  Cl24  1  0.176  0.434  0.749  1.0
  Cl  Cl25  1  0.404  0.509  0.251  1.0
  Cl  Cl26  1  0.566  0.742  0.749  1.0
[/CIF]
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