The material structure described by Rb2TlOCl5 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 7-coordinate geometry to one Cl(3), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(4) atoms. Tl(1) is bonded in a 6-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. O(1) is bonded in a distorted single-bond geometry to one Tl(1) and one Cl(3) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Rb(1) and one Tl(1) atom to form a mixture of distorted edge, corner, and face-sharing ClRb4Tl square pyramids. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and one Tl(1) atom to form a mixture of distorted edge, corner, and face-sharing ClRb4Tl square pyramids. In the third Cl site, Cl(3) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Tl(1), and one O(1) atom. In the fourth Cl site, Cl(4) is bonded in a 1-coordinate geometry to two equivalent Rb(1) and one Tl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2TlCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.897
_cell_length_b   10.489
_cell_length_c   13.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1131.552
_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
  Rb  Rb0  1  0.684  0.487  0.362  1.0
  Rb  Rb1  1  0.816  0.013  0.862  1.0
  Rb  Rb2  1  0.316  0.987  0.638  1.0
  Rb  Rb3  1  0.184  0.513  0.138  1.0
  Rb  Rb4  1  0.316  0.513  0.638  1.0
  Rb  Rb5  1  0.184  0.987  0.138  1.0
  Rb  Rb6  1  0.684  0.013  0.362  1.0
  Rb  Rb7  1  0.816  0.487  0.862  1.0
  Tl  Tl8  1  0.734  0.750  0.110  1.0
  Tl  Tl9  1  0.766  0.750  0.610  1.0
  Tl  Tl10  1  0.266  0.250  0.890  1.0
  Tl  Tl11  1  0.234  0.250  0.390  1.0
  Cl  Cl12  1  0.977  0.750  0.987  1.0
  Cl  Cl13  1  0.523  0.750  0.487  1.0
  Cl  Cl14  1  0.023  0.250  0.013  1.0
  Cl  Cl15  1  0.477  0.250  0.513  1.0
  Cl  Cl16  1  0.911  0.750  0.265  1.0
  Cl  Cl17  1  0.589  0.750  0.765  1.0
  Cl  Cl18  1  0.089  0.250  0.735  1.0
  Cl  Cl19  1  0.411  0.250  0.235  1.0
  Cl  Cl20  1  0.422  0.750  0.217  1.0
  Cl  Cl21  1  0.078  0.750  0.717  1.0
  Cl  Cl22  1  0.578  0.250  0.783  1.0
  Cl  Cl23  1  0.922  0.250  0.283  1.0
  Cl  Cl24  1  0.694  0.508  0.102  1.0
  Cl  Cl25  1  0.806  0.992  0.602  1.0
  Cl  Cl26  1  0.306  0.008  0.898  1.0
  Cl  Cl27  1  0.194  0.492  0.398  1.0
  Cl  Cl28  1  0.306  0.492  0.898  1.0
  Cl  Cl29  1  0.194  0.008  0.398  1.0
  Cl  Cl30  1  0.694  0.992  0.102  1.0
  Cl  Cl31  1  0.806  0.508  0.602  1.0
  O  O32  1  0.464  0.750  0.044  1.0
  O  O33  1  0.036  0.750  0.544  1.0
  O  O34  1  0.536  0.250  0.956  1.0
  O  O35  1  0.964  0.250  0.456  1.0
[/CIF]
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The material structure described by Rb2TlOCl5 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 7-coordinate geometry to one Cl(3), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(4) atoms. Tl(1) is bonded in a 6-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. O(1) is bonded in a distorted single-bond geometry to one Tl(1) and one Cl(3) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Rb(1) and one Tl(1) atom to form a mixture of distorted edge, corner, and face-sharing ClRb4Tl square pyramids. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and one Tl(1) atom to form a mixture of distorted edge, corner, and face-sharing ClRb4Tl square pyramids. In the third Cl site, Cl(3) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Tl(1), and one O(1) atom. In the fourth Cl site, Cl(4) is bonded in a 1-coordinate geometry to two equivalent Rb(1) and one Tl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2TlCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.897
_cell_length_b   10.489
_cell_length_c   13.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1131.552
_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
  Rb  Rb0  1  0.684  0.487  0.362  1.0
  Rb  Rb1  1  0.816  0.013  0.862  1.0
  Rb  Rb2  1  0.316  0.987  0.638  1.0
  Rb  Rb3  1  0.184  0.513  0.138  1.0
  Rb  Rb4  1  0.316  0.513  0.638  1.0
  Rb  Rb5  1  0.184  0.987  0.138  1.0
  Rb  Rb6  1  0.684  0.013  0.362  1.0
  Rb  Rb7  1  0.816  0.487  0.862  1.0
  Tl  Tl8  1  0.734  0.750  0.110  1.0
  Tl  Tl9  1  0.766  0.750  0.610  1.0
  Tl  Tl10  1  0.266  0.250  0.890  1.0
  Tl  Tl11  1  0.234  0.250  0.390  1.0
  Cl  Cl12  1  0.977  0.750  0.987  1.0
  Cl  Cl13  1  0.523  0.750  0.487  1.0
  Cl  Cl14  1  0.023  0.250  0.013  1.0
  Cl  Cl15  1  0.477  0.250  0.513  1.0
  Cl  Cl16  1  0.911  0.750  0.265  1.0
  Cl  Cl17  1  0.589  0.750  0.765  1.0
  Cl  Cl18  1  0.089  0.250  0.735  1.0
  Cl  Cl19  1  0.411  0.250  0.235  1.0
  Cl  Cl20  1  0.422  0.750  0.217  1.0
  Cl  Cl21  1  0.078  0.750  0.717  1.0
  Cl  Cl22  1  0.578  0.250  0.783  1.0
  Cl  Cl23  1  0.922  0.250  0.283  1.0
  Cl  Cl24  1  0.694  0.508  0.102  1.0
  Cl  Cl25  1  0.806  0.992  0.602  1.0
  Cl  Cl26  1  0.306  0.008  0.898  1.0
  Cl  Cl27  1  0.194  0.492  0.398  1.0
  Cl  Cl28  1  0.306  0.492  0.898  1.0
  Cl  Cl29  1  0.194  0.008  0.398  1.0
  Cl  Cl30  1  0.694  0.992  0.102  1.0
  Cl  Cl31  1  0.806  0.508  0.602  1.0
  O  O32  1  0.464  0.750  0.044  1.0
  O  O33  1  0.036  0.750  0.544  1.0
  O  O34  1  0.536  0.250  0.956  1.0
  O  O35  1  0.964  0.250  0.456  1.0
[/CIF]
.