The structure described by Tb5Se2O10Cl3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to two equivalent O(2), four equivalent O(1), and one Cl(1) atom. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), one Cl(2), and two equivalent Cl(1) atoms. In the third Tb site, Tb(3) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Se(1) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Tb(2), one Tb(3), and two equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with four equivalent O(1)Tb4 tetrahedra, corners with six equivalent O(2)Tb3Se tetrahedra, edges with two equivalent O(2)Tb3Se tetrahedra, and edges with three equivalent O(1)Tb4 tetrahedra. In the second O site, O(2) is bonded to one Tb(1), one Tb(2), one Tb(3), and one Se(1) atom to form distorted OTb3Se tetrahedra that share corners with two equivalent O(2)Tb3Se tetrahedra, corners with six equivalent O(1)Tb4 tetrahedra, edges with two equivalent O(2)Tb3Se tetrahedra, and edges with two equivalent O(1)Tb4 tetrahedra. In the third O site, O(3) is bonded in a linear geometry to one Tb(2) and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Tb(1) and two equivalent Tb(2) atoms. In the second Cl site, Cl(2) is bonded in a linear geometry to two equivalent Tb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb5Se2Cl3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.731
_cell_length_b   6.731
_cell_length_c   9.908
_cell_angle_alpha   89.096
_cell_angle_beta   89.096
_cell_angle_gamma   48.323
_symmetry_Int_Tables_number   1
_cell_volume   335.202
_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
  Tb  Tb0  1  0.786  0.786  0.103  1.0
  Tb  Tb1  1  0.099  0.099  0.234  1.0
  Tb  Tb2  1  0.901  0.901  0.766  1.0
  Tb  Tb3  1  0.500  0.500  0.000  1.0
  Tb  Tb4  1  0.214  0.214  0.897  1.0
  Se  Se5  1  0.592  0.592  0.684  1.0
  Se  Se6  1  0.408  0.408  0.316  1.0
  Cl  Cl7  1  0.337  0.337  0.650  1.0
  Cl  Cl8  1  0.663  0.663  0.350  1.0
  Cl  Cl9  1  0.000  0.000  0.500  1.0
  O  O10  1  0.610  0.102  0.941  1.0
  O  O11  1  0.206  0.683  0.204  1.0
  O  O12  1  0.683  0.206  0.204  1.0
  O  O13  1  0.898  0.390  0.059  1.0
  O  O14  1  0.317  0.794  0.796  1.0
  O  O15  1  0.390  0.898  0.059  1.0
  O  O16  1  0.794  0.317  0.796  1.0
  O  O17  1  0.273  0.273  0.284  1.0
  O  O18  1  0.727  0.727  0.716  1.0
  O  O19  1  0.102  0.610  0.941  1.0
[/CIF]
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The structure described by Tb5Se2O10Cl3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to two equivalent O(2), four equivalent O(1), and one Cl(1) atom. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), one Cl(2), and two equivalent Cl(1) atoms. In the third Tb site, Tb(3) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Se(1) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Tb(2), one Tb(3), and two equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with four equivalent O(1)Tb4 tetrahedra, corners with six equivalent O(2)Tb3Se tetrahedra, edges with two equivalent O(2)Tb3Se tetrahedra, and edges with three equivalent O(1)Tb4 tetrahedra. In the second O site, O(2) is bonded to one Tb(1), one Tb(2), one Tb(3), and one Se(1) atom to form distorted OTb3Se tetrahedra that share corners with two equivalent O(2)Tb3Se tetrahedra, corners with six equivalent O(1)Tb4 tetrahedra, edges with two equivalent O(2)Tb3Se tetrahedra, and edges with two equivalent O(1)Tb4 tetrahedra. In the third O site, O(3) is bonded in a linear geometry to one Tb(2) and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Tb(1) and two equivalent Tb(2) atoms. In the second Cl site, Cl(2) is bonded in a linear geometry to two equivalent Tb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb5Se2Cl3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.731
_cell_length_b   6.731
_cell_length_c   9.908
_cell_angle_alpha   89.096
_cell_angle_beta   89.096
_cell_angle_gamma   48.323
_symmetry_Int_Tables_number   1
_cell_volume   335.202
_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
  Tb  Tb0  1  0.786  0.786  0.103  1.0
  Tb  Tb1  1  0.099  0.099  0.234  1.0
  Tb  Tb2  1  0.901  0.901  0.766  1.0
  Tb  Tb3  1  0.500  0.500  0.000  1.0
  Tb  Tb4  1  0.214  0.214  0.897  1.0
  Se  Se5  1  0.592  0.592  0.684  1.0
  Se  Se6  1  0.408  0.408  0.316  1.0
  Cl  Cl7  1  0.337  0.337  0.650  1.0
  Cl  Cl8  1  0.663  0.663  0.350  1.0
  Cl  Cl9  1  0.000  0.000  0.500  1.0
  O  O10  1  0.610  0.102  0.941  1.0
  O  O11  1  0.206  0.683  0.204  1.0
  O  O12  1  0.683  0.206  0.204  1.0
  O  O13  1  0.898  0.390  0.059  1.0
  O  O14  1  0.317  0.794  0.796  1.0
  O  O15  1  0.390  0.898  0.059  1.0
  O  O16  1  0.794  0.317  0.796  1.0
  O  O17  1  0.273  0.273  0.284  1.0
  O  O18  1  0.727  0.727  0.716  1.0
  O  O19  1  0.102  0.610  0.941  1.0
[/CIF]
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