The compound described by CsTmSeO3Cl2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent Cl(1), and three equivalent Cl(2) atoms. Tm(1) is bonded to one O(1), two equivalent O(2), two equivalent O(3), one Cl(1), and one Cl(2) atom to form edge-sharing TmCl2O5 pentagonal bipyramids. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Tm(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tm(1) and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Tm(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Tm(1) atom. is represented by the CIF file [CIF]
data_CsTmSeCl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.863
_cell_length_b   6.574
_cell_length_c   17.824
_cell_angle_alpha   77.691
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   785.710
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.210  0.752  0.055  1.0
  Cs  Cs1  1  0.710  0.248  0.445  1.0
  Cs  Cs2  1  0.790  0.248  0.945  1.0
  Cs  Cs3  1  0.290  0.752  0.555  1.0
  Tm  Tm4  1  0.822  0.864  0.758  1.0
  Tm  Tm5  1  0.678  0.864  0.258  1.0
  Tm  Tm6  1  0.178  0.136  0.242  1.0
  Tm  Tm7  1  0.322  0.136  0.742  1.0
  Se  Se8  1  0.183  0.638  0.293  1.0
  Se  Se9  1  0.683  0.362  0.207  1.0
  Se  Se10  1  0.317  0.638  0.793  1.0
  Se  Se11  1  0.817  0.362  0.707  1.0
  Cl  Cl12  1  0.691  0.879  0.111  1.0
  Cl  Cl13  1  0.191  0.121  0.389  1.0
  Cl  Cl14  1  0.809  0.879  0.611  1.0
  Cl  Cl15  1  0.309  0.121  0.889  1.0
  Cl  Cl16  1  0.157  0.227  0.093  1.0
  Cl  Cl17  1  0.657  0.773  0.407  1.0
  Cl  Cl18  1  0.843  0.773  0.907  1.0
  Cl  Cl19  1  0.343  0.227  0.593  1.0
  O  O20  1  0.827  0.514  0.771  1.0
  O  O21  1  0.001  0.817  0.265  1.0
  O  O22  1  0.173  0.486  0.229  1.0
  O  O23  1  0.999  0.183  0.735  1.0
  O  O24  1  0.645  0.178  0.745  1.0
  O  O25  1  0.501  0.183  0.235  1.0
  O  O26  1  0.355  0.822  0.255  1.0
  O  O27  1  0.855  0.178  0.245  1.0
  O  O28  1  0.145  0.822  0.755  1.0
  O  O29  1  0.499  0.817  0.765  1.0
  O  O30  1  0.327  0.486  0.729  1.0
  O  O31  1  0.673  0.514  0.271  1.0
[/CIF]
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The compound described by CsTmSeO3Cl2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent Cl(1), and three equivalent Cl(2) atoms. Tm(1) is bonded to one O(1), two equivalent O(2), two equivalent O(3), one Cl(1), and one Cl(2) atom to form edge-sharing TmCl2O5 pentagonal bipyramids. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Tm(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tm(1) and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Tm(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Tm(1) atom. is represented by the CIF file [CIF]
data_CsTmSeCl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.863
_cell_length_b   6.574
_cell_length_c   17.824
_cell_angle_alpha   77.691
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   785.710
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.210  0.752  0.055  1.0
  Cs  Cs1  1  0.710  0.248  0.445  1.0
  Cs  Cs2  1  0.790  0.248  0.945  1.0
  Cs  Cs3  1  0.290  0.752  0.555  1.0
  Tm  Tm4  1  0.822  0.864  0.758  1.0
  Tm  Tm5  1  0.678  0.864  0.258  1.0
  Tm  Tm6  1  0.178  0.136  0.242  1.0
  Tm  Tm7  1  0.322  0.136  0.742  1.0
  Se  Se8  1  0.183  0.638  0.293  1.0
  Se  Se9  1  0.683  0.362  0.207  1.0
  Se  Se10  1  0.317  0.638  0.793  1.0
  Se  Se11  1  0.817  0.362  0.707  1.0
  Cl  Cl12  1  0.691  0.879  0.111  1.0
  Cl  Cl13  1  0.191  0.121  0.389  1.0
  Cl  Cl14  1  0.809  0.879  0.611  1.0
  Cl  Cl15  1  0.309  0.121  0.889  1.0
  Cl  Cl16  1  0.157  0.227  0.093  1.0
  Cl  Cl17  1  0.657  0.773  0.407  1.0
  Cl  Cl18  1  0.843  0.773  0.907  1.0
  Cl  Cl19  1  0.343  0.227  0.593  1.0
  O  O20  1  0.827  0.514  0.771  1.0
  O  O21  1  0.001  0.817  0.265  1.0
  O  O22  1  0.173  0.486  0.229  1.0
  O  O23  1  0.999  0.183  0.735  1.0
  O  O24  1  0.645  0.178  0.745  1.0
  O  O25  1  0.501  0.183  0.235  1.0
  O  O26  1  0.355  0.822  0.255  1.0
  O  O27  1  0.855  0.178  0.245  1.0
  O  O28  1  0.145  0.822  0.755  1.0
  O  O29  1  0.499  0.817  0.765  1.0
  O  O30  1  0.327  0.486  0.729  1.0
  O  O31  1  0.673  0.514  0.271  1.0
[/CIF]
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