The material described by Rb2CoF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. Co(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded to five equivalent Rb(1) and one Co(1) atom to form distorted FRb5Co octahedra that share corners with five equivalent F(2)Rb5Co octahedra, corners with twelve equivalent F(1)Rb4Co2 octahedra, edges with eight equivalent F(2)Rb5Co octahedra, and faces with four equivalent F(1)Rb4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second F site, F(1) is bonded to four equivalent Rb(1) and two equivalent Co(1) atoms to form distorted FRb4Co2 octahedra that share corners with two equivalent F(1)Rb4Co2 octahedra, corners with twelve equivalent F(2)Rb5Co octahedra, edges with two equivalent F(1)Rb4Co2 octahedra, faces with four equivalent F(1)Rb4Co2 octahedra, and faces with four equivalent F(2)Rb5Co octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF file [CIF]
data_Rb2CoF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.204
_cell_length_b   4.204
_cell_length_c   7.549
_cell_angle_alpha   106.167
_cell_angle_beta   106.167
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.621
_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
  Rb  Rb0  1  0.645  0.645  0.290  1.0
  Rb  Rb1  1  0.355  0.355  0.710  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.500  0.000  0.000  1.0
  F  F4  1  0.000  0.500  0.000  1.0
  F  F5  1  0.853  0.853  0.707  1.0
  F  F6  1  0.147  0.147  0.293  1.0
[/CIF]
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The material described by Rb2CoF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. Co(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded to five equivalent Rb(1) and one Co(1) atom to form distorted FRb5Co octahedra that share corners with five equivalent F(2)Rb5Co octahedra, corners with twelve equivalent F(1)Rb4Co2 octahedra, edges with eight equivalent F(2)Rb5Co octahedra, and faces with four equivalent F(1)Rb4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second F site, F(1) is bonded to four equivalent Rb(1) and two equivalent Co(1) atoms to form distorted FRb4Co2 octahedra that share corners with two equivalent F(1)Rb4Co2 octahedra, corners with twelve equivalent F(2)Rb5Co octahedra, edges with two equivalent F(1)Rb4Co2 octahedra, faces with four equivalent F(1)Rb4Co2 octahedra, and faces with four equivalent F(2)Rb5Co octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF file [CIF]
data_Rb2CoF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.204
_cell_length_b   4.204
_cell_length_c   7.549
_cell_angle_alpha   106.167
_cell_angle_beta   106.167
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.621
_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
  Rb  Rb0  1  0.645  0.645  0.290  1.0
  Rb  Rb1  1  0.355  0.355  0.710  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.500  0.000  0.000  1.0
  F  F4  1  0.000  0.500  0.000  1.0
  F  F5  1  0.853  0.853  0.707  1.0
  F  F6  1  0.147  0.147  0.293  1.0
[/CIF]
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