The material structure described by CsTh3F13 crystallizes in the orthorhombic Pmc2_1 space group. Cs(1) is bonded in a 11-coordinate geometry to one F(1), two equivalent F(3), two equivalent F(4), two equivalent F(6), two equivalent F(7), and two equivalent F(8) atoms. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 9-coordinate geometry to one F(2), two equivalent F(3), two equivalent F(7), two equivalent F(8), and two equivalent F(9) atoms. In the second Th site, Th(2) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(6), one F(7), one F(8), and two equivalent F(4) atoms. There are nine inequivalent F sites. In the first F site, F(9) is bonded in a linear geometry to two equivalent Th(1) atoms. In the second F site, F(1) is bonded in a trigonal planar geometry to one Cs(1) and two equivalent Th(2) atoms. In the third F site, F(2) is bonded in a trigonal non-coplanar geometry to one Th(1) and two equivalent Th(2) atoms. In the fourth F site, F(3) is bonded in a distorted trigonal planar geometry to one Cs(1), one Th(1), and one Th(2) atom. In the fifth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Th(2) atoms. In the sixth F site, F(5) is bonded in a bent 120 degrees geometry to two equivalent Th(2) atoms. In the seventh F site, F(6) is bonded to two equivalent Cs(1) and two equivalent Th(2) atoms to form distorted corner-sharing FCs2Th2 tetrahedra. In the eighth F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Th(1), and one Th(2) atom. In the ninth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Th(1), and one Th(2) atom. is represented by the CIF card [CIF]
data_CsTh3F13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.589
_cell_length_b   8.174
_cell_length_c   8.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.960
_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
  Cs  Cs0  1  0.607  0.000  0.708  1.0
  Cs  Cs1  1  0.393  0.000  0.208  1.0
  Th  Th2  1  0.390  0.500  0.914  1.0
  Th  Th3  1  0.610  0.500  0.414  1.0
  Th  Th4  1  0.104  0.751  0.576  1.0
  Th  Th5  1  0.104  0.249  0.576  1.0
  Th  Th6  1  0.896  0.249  0.076  1.0
  Th  Th7  1  0.896  0.751  0.076  1.0
  F  F8  1  0.944  0.000  0.560  1.0
  F  F9  1  0.056  0.000  0.060  1.0
  F  F10  1  0.137  0.500  0.733  1.0
  F  F11  1  0.863  0.500  0.233  1.0
  F  F12  1  0.321  0.751  0.771  1.0
  F  F13  1  0.321  0.249  0.771  1.0
  F  F14  1  0.679  0.249  0.271  1.0
  F  F15  1  0.679  0.751  0.271  1.0
  F  F16  1  0.045  0.802  0.313  1.0
  F  F17  1  0.045  0.198  0.313  1.0
  F  F18  1  0.955  0.198  0.813  1.0
  F  F19  1  0.955  0.802  0.813  1.0
  F  F20  1  0.104  0.500  0.449  1.0
  F  F21  1  0.896  0.500  0.949  1.0
  F  F22  1  0.268  0.000  0.546  1.0
  F  F23  1  0.732  0.000  0.046  1.0
  F  F24  1  0.811  0.670  0.547  1.0
  F  F25  1  0.811  0.330  0.547  1.0
  F  F26  1  0.189  0.330  0.047  1.0
  F  F27  1  0.189  0.670  0.047  1.0
  F  F28  1  0.613  0.306  0.959  1.0
  F  F29  1  0.613  0.694  0.959  1.0
  F  F30  1  0.387  0.694  0.459  1.0
  F  F31  1  0.387  0.306  0.459  1.0
  F  F32  1  0.465  0.500  0.179  1.0
  F  F33  1  0.535  0.500  0.679  1.0
[/CIF]
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The material structure described by CsTh3F13 crystallizes in the orthorhombic Pmc2_1 space group. Cs(1) is bonded in a 11-coordinate geometry to one F(1), two equivalent F(3), two equivalent F(4), two equivalent F(6), two equivalent F(7), and two equivalent F(8) atoms. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 9-coordinate geometry to one F(2), two equivalent F(3), two equivalent F(7), two equivalent F(8), and two equivalent F(9) atoms. In the second Th site, Th(2) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(6), one F(7), one F(8), and two equivalent F(4) atoms. There are nine inequivalent F sites. In the first F site, F(9) is bonded in a linear geometry to two equivalent Th(1) atoms. In the second F site, F(1) is bonded in a trigonal planar geometry to one Cs(1) and two equivalent Th(2) atoms. In the third F site, F(2) is bonded in a trigonal non-coplanar geometry to one Th(1) and two equivalent Th(2) atoms. In the fourth F site, F(3) is bonded in a distorted trigonal planar geometry to one Cs(1), one Th(1), and one Th(2) atom. In the fifth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Th(2) atoms. In the sixth F site, F(5) is bonded in a bent 120 degrees geometry to two equivalent Th(2) atoms. In the seventh F site, F(6) is bonded to two equivalent Cs(1) and two equivalent Th(2) atoms to form distorted corner-sharing FCs2Th2 tetrahedra. In the eighth F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Th(1), and one Th(2) atom. In the ninth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Th(1), and one Th(2) atom. is represented by the CIF card [CIF]
data_CsTh3F13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.589
_cell_length_b   8.174
_cell_length_c   8.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.960
_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
  Cs  Cs0  1  0.607  0.000  0.708  1.0
  Cs  Cs1  1  0.393  0.000  0.208  1.0
  Th  Th2  1  0.390  0.500  0.914  1.0
  Th  Th3  1  0.610  0.500  0.414  1.0
  Th  Th4  1  0.104  0.751  0.576  1.0
  Th  Th5  1  0.104  0.249  0.576  1.0
  Th  Th6  1  0.896  0.249  0.076  1.0
  Th  Th7  1  0.896  0.751  0.076  1.0
  F  F8  1  0.944  0.000  0.560  1.0
  F  F9  1  0.056  0.000  0.060  1.0
  F  F10  1  0.137  0.500  0.733  1.0
  F  F11  1  0.863  0.500  0.233  1.0
  F  F12  1  0.321  0.751  0.771  1.0
  F  F13  1  0.321  0.249  0.771  1.0
  F  F14  1  0.679  0.249  0.271  1.0
  F  F15  1  0.679  0.751  0.271  1.0
  F  F16  1  0.045  0.802  0.313  1.0
  F  F17  1  0.045  0.198  0.313  1.0
  F  F18  1  0.955  0.198  0.813  1.0
  F  F19  1  0.955  0.802  0.813  1.0
  F  F20  1  0.104  0.500  0.449  1.0
  F  F21  1  0.896  0.500  0.949  1.0
  F  F22  1  0.268  0.000  0.546  1.0
  F  F23  1  0.732  0.000  0.046  1.0
  F  F24  1  0.811  0.670  0.547  1.0
  F  F25  1  0.811  0.330  0.547  1.0
  F  F26  1  0.189  0.330  0.047  1.0
  F  F27  1  0.189  0.670  0.047  1.0
  F  F28  1  0.613  0.306  0.959  1.0
  F  F29  1  0.613  0.694  0.959  1.0
  F  F30  1  0.387  0.694  0.459  1.0
  F  F31  1  0.387  0.306  0.459  1.0
  F  F32  1  0.465  0.500  0.179  1.0
  F  F33  1  0.535  0.500  0.679  1.0
[/CIF]
.