The material described by RbBiF3 crystallizes in the triclinic P1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(4), and two equivalent F(5) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one F(3), one F(5), two equivalent F(1), and two equivalent F(6) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one F(2), one F(3), one F(4), and one F(5) atom. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Rb(1), two equivalent Rb(2), and one Bi(2) atom to form a mixture of edge and corner-sharing FRb3Bi tetrahedra. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Rb(1), one Bi(1), and one Bi(2) atom. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Rb(2), one Bi(1), and one Bi(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and one Bi(1) atom. In the fifth F site, F(5) is bonded to one Rb(2), two equivalent Rb(1), and one Bi(1) atom to form a mixture of edge and corner-sharing FRb3Bi tetrahedra. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to two equivalent Rb(2) and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbBiF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.027
_cell_length_b   5.162
_cell_length_c   8.673
_cell_angle_alpha   96.271
_cell_angle_beta   92.608
_cell_angle_gamma   96.621
_symmetry_Int_Tables_number   1
_cell_volume   221.804
_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  0.495  0.493  0.252  1.0
  Rb  Rb1  1  0.013  0.015  0.499  1.0
  Bi  Bi2  1  0.897  0.991  0.999  1.0
  Bi  Bi3  1  0.601  0.511  0.750  1.0
  F  F4  1  0.831  0.509  0.537  1.0
  F  F5  1  0.521  0.194  0.959  1.0
  F  F6  1  0.968  0.292  0.792  1.0
  F  F7  1  0.038  0.657  0.121  1.0
  F  F8  1  0.682  1.000  0.219  1.0
  F  F9  1  0.461  0.835  0.621  1.0
[/CIF]
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The material described by RbBiF3 crystallizes in the triclinic P1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(4), and two equivalent F(5) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one F(3), one F(5), two equivalent F(1), and two equivalent F(6) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one F(2), one F(3), one F(4), and one F(5) atom. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Rb(1), two equivalent Rb(2), and one Bi(2) atom to form a mixture of edge and corner-sharing FRb3Bi tetrahedra. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Rb(1), one Bi(1), and one Bi(2) atom. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Rb(2), one Bi(1), and one Bi(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and one Bi(1) atom. In the fifth F site, F(5) is bonded to one Rb(2), two equivalent Rb(1), and one Bi(1) atom to form a mixture of edge and corner-sharing FRb3Bi tetrahedra. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to two equivalent Rb(2) and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbBiF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.027
_cell_length_b   5.162
_cell_length_c   8.673
_cell_angle_alpha   96.271
_cell_angle_beta   92.608
_cell_angle_gamma   96.621
_symmetry_Int_Tables_number   1
_cell_volume   221.804
_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  0.495  0.493  0.252  1.0
  Rb  Rb1  1  0.013  0.015  0.499  1.0
  Bi  Bi2  1  0.897  0.991  0.999  1.0
  Bi  Bi3  1  0.601  0.511  0.750  1.0
  F  F4  1  0.831  0.509  0.537  1.0
  F  F5  1  0.521  0.194  0.959  1.0
  F  F6  1  0.968  0.292  0.792  1.0
  F  F7  1  0.038  0.657  0.121  1.0
  F  F8  1  0.682  1.000  0.219  1.0
  F  F9  1  0.461  0.835  0.621  1.0
[/CIF]
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