The compound described by SmMnSe2O6Cl crystallizes in the triclinic P-1 space group. Sm(1) is bonded in a 9-coordinate geometry to one O(1), one O(6), two equivalent O(2), two equivalent O(3), two equivalent O(4), and one Cl(1) atom. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(5), and two equivalent Cl(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sm(1), one Mn(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sm(1) and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sm(1) and one Se(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Mn(1) and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sm(1), one Mn(1), and one Se(1) atom. Cl(1) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_SmMnSe2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.096
_cell_length_b   7.366
_cell_length_c   8.167
_cell_angle_alpha   86.662
_cell_angle_beta   108.304
_cell_angle_gamma   115.646
_symmetry_Int_Tables_number   1
_cell_volume   363.881
_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  0.820  0.170  0.467  1.0
  Sm  Sm1  1  0.180  0.830  0.533  1.0
  Mn  Mn2  1  0.199  0.904  0.023  1.0
  Mn  Mn3  1  0.801  0.096  0.977  1.0
  Se  Se4  1  0.824  0.525  0.182  1.0
  Se  Se5  1  0.176  0.475  0.818  1.0
  Se  Se6  1  0.702  0.741  0.682  1.0
  Se  Se7  1  0.298  0.259  0.318  1.0
  Cl  Cl8  1  0.434  0.145  0.833  1.0
  Cl  Cl9  1  0.566  0.855  0.167  1.0
  O  O10  1  0.123  0.685  0.814  1.0
  O  O11  1  0.183  0.478  0.608  1.0
  O  O12  1  0.449  0.122  0.388  1.0
  O  O13  1  0.877  0.315  0.186  1.0
  O  O14  1  0.093  0.106  0.403  1.0
  O  O15  1  0.173  0.170  0.101  1.0
  O  O16  1  0.087  0.725  0.226  1.0
  O  O17  1  0.817  0.522  0.392  1.0
  O  O18  1  0.913  0.275  0.774  1.0
  O  O19  1  0.551  0.878  0.612  1.0
  O  O20  1  0.827  0.830  0.899  1.0
  O  O21  1  0.907  0.894  0.597  1.0
[/CIF]
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The compound described by SmMnSe2O6Cl crystallizes in the triclinic P-1 space group. Sm(1) is bonded in a 9-coordinate geometry to one O(1), one O(6), two equivalent O(2), two equivalent O(3), two equivalent O(4), and one Cl(1) atom. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(5), and two equivalent Cl(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sm(1), one Mn(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sm(1) and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sm(1) and one Se(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to two equivalent Mn(1) and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sm(1), one Mn(1), and one Se(1) atom. Cl(1) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_SmMnSe2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.096
_cell_length_b   7.366
_cell_length_c   8.167
_cell_angle_alpha   86.662
_cell_angle_beta   108.304
_cell_angle_gamma   115.646
_symmetry_Int_Tables_number   1
_cell_volume   363.881
_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  0.820  0.170  0.467  1.0
  Sm  Sm1  1  0.180  0.830  0.533  1.0
  Mn  Mn2  1  0.199  0.904  0.023  1.0
  Mn  Mn3  1  0.801  0.096  0.977  1.0
  Se  Se4  1  0.824  0.525  0.182  1.0
  Se  Se5  1  0.176  0.475  0.818  1.0
  Se  Se6  1  0.702  0.741  0.682  1.0
  Se  Se7  1  0.298  0.259  0.318  1.0
  Cl  Cl8  1  0.434  0.145  0.833  1.0
  Cl  Cl9  1  0.566  0.855  0.167  1.0
  O  O10  1  0.123  0.685  0.814  1.0
  O  O11  1  0.183  0.478  0.608  1.0
  O  O12  1  0.449  0.122  0.388  1.0
  O  O13  1  0.877  0.315  0.186  1.0
  O  O14  1  0.093  0.106  0.403  1.0
  O  O15  1  0.173  0.170  0.101  1.0
  O  O16  1  0.087  0.725  0.226  1.0
  O  O17  1  0.817  0.522  0.392  1.0
  O  O18  1  0.913  0.275  0.774  1.0
  O  O19  1  0.551  0.878  0.612  1.0
  O  O20  1  0.827  0.830  0.899  1.0
  O  O21  1  0.907  0.894  0.597  1.0
[/CIF]
.