The material described by RbCu2I3 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent I(2) and six equivalent I(1) atoms. Cu(1) is bonded to two equivalent I(1) and two equivalent I(2) atoms to form a mixture of distorted corner and edge-sharing CuI4 tetrahedra. There are two inequivalent I sites. In the first I site, I(2) is bonded to two equivalent Rb(1) and four equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing IRb2Cu4 pentagonal pyramids. In the second I site, I(1) is bonded in a 5-coordinate geometry to three equivalent Rb(1) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCu2I3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.893
_cell_length_b   8.893
_cell_length_c   5.348
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.937
_symmetry_Int_Tables_number   1
_cell_volume   413.831
_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
  Rb  Rb0  1  0.309  0.691  0.750  1.0
  Rb  Rb1  1  0.691  0.309  0.250  1.0
  Cu  Cu2  1  0.840  0.840  0.500  1.0
  Cu  Cu3  1  0.840  0.840  0.000  1.0
  Cu  Cu4  1  0.160  0.160  0.500  1.0
  Cu  Cu5  1  0.160  0.160  0.000  1.0
  I  I6  1  0.589  0.841  0.250  1.0
  I  I7  1  0.841  0.589  0.750  1.0
  I  I8  1  0.411  0.159  0.750  1.0
  I  I9  1  0.159  0.411  0.250  1.0
  I  I10  1  0.890  0.110  0.750  1.0
  I  I11  1  0.110  0.890  0.250  1.0
[/CIF]
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The material described by RbCu2I3 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent I(2) and six equivalent I(1) atoms. Cu(1) is bonded to two equivalent I(1) and two equivalent I(2) atoms to form a mixture of distorted corner and edge-sharing CuI4 tetrahedra. There are two inequivalent I sites. In the first I site, I(2) is bonded to two equivalent Rb(1) and four equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing IRb2Cu4 pentagonal pyramids. In the second I site, I(1) is bonded in a 5-coordinate geometry to three equivalent Rb(1) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCu2I3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.893
_cell_length_b   8.893
_cell_length_c   5.348
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.937
_symmetry_Int_Tables_number   1
_cell_volume   413.831
_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
  Rb  Rb0  1  0.309  0.691  0.750  1.0
  Rb  Rb1  1  0.691  0.309  0.250  1.0
  Cu  Cu2  1  0.840  0.840  0.500  1.0
  Cu  Cu3  1  0.840  0.840  0.000  1.0
  Cu  Cu4  1  0.160  0.160  0.500  1.0
  Cu  Cu5  1  0.160  0.160  0.000  1.0
  I  I6  1  0.589  0.841  0.250  1.0
  I  I7  1  0.841  0.589  0.750  1.0
  I  I8  1  0.411  0.159  0.750  1.0
  I  I9  1  0.159  0.411  0.250  1.0
  I  I10  1  0.890  0.110  0.750  1.0
  I  I11  1  0.110  0.890  0.250  1.0
[/CIF]
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