The material described by RbCoF3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form RbF12 cuboctahedra that share corners with six equivalent Rb(1)F12 cuboctahedra, corners with six equivalent Rb(2)F12 cuboctahedra, faces with six equivalent Rb(2)F12 cuboctahedra, faces with two equivalent Co(2)F6 octahedra, and faces with six equivalent Co(1)F6 octahedra. In the second Rb site, Rb(2) is bonded to three equivalent F(1) and nine equivalent F(2) atoms to form RbF12 cuboctahedra that share corners with three equivalent Rb(1)F12 cuboctahedra, corners with six equivalent Rb(2)F12 cuboctahedra, corners with three equivalent Co(1)F6 octahedra, faces with three equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Rb(2)F12 cuboctahedra, faces with three equivalent Co(2)F6 octahedra, and faces with four equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form CoF6 octahedra that share corners with three equivalent Rb(2)F12 cuboctahedra, corners with three equivalent Co(2)F6 octahedra, faces with three equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Rb(2)F12 cuboctahedra, and  a faceface with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Co site, Co(2) is bonded to six equivalent F(2) atoms to form CoF6 octahedra that share corners with six equivalent Co(1)F6 octahedra, faces with two equivalent Rb(1)F12 cuboctahedra, and faces with six equivalent Rb(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Co(1) atoms to form a mixture of distorted corner and face-sharing FRb4Co2 octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the second F site, F(2) is bonded in a distorted linear geometry to one Rb(1), three equivalent Rb(2), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.013
_cell_length_b   6.013
_cell_length_c   14.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   461.000
_cell_formula_units_Z   6
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  0.000  0.000  0.750  1.0
  Rb  Rb1  1  0.667  0.333  0.905  1.0
  Rb  Rb2  1  0.333  0.667  0.405  1.0
  Rb  Rb3  1  0.667  0.333  0.595  1.0
  Rb  Rb4  1  0.333  0.667  0.095  1.0
  Rb  Rb5  1  0.000  0.000  0.250  1.0
  Co  Co6  1  0.333  0.667  0.654  1.0
  Co  Co7  1  0.667  0.333  0.154  1.0
  Co  Co8  1  0.667  0.333  0.346  1.0
  Co  Co9  1  0.000  0.000  0.000  1.0
  Co  Co10  1  0.000  0.000  0.500  1.0
  Co  Co11  1  0.333  0.667  0.846  1.0
  F  F12  1  0.036  0.518  0.750  1.0
  F  F13  1  0.518  0.482  0.250  1.0
  F  F14  1  0.331  0.165  0.420  1.0
  F  F15  1  0.669  0.835  0.920  1.0
  F  F16  1  0.165  0.331  0.580  1.0
  F  F17  1  0.835  0.669  0.420  1.0
  F  F18  1  0.835  0.669  0.080  1.0
  F  F19  1  0.331  0.165  0.080  1.0
  F  F20  1  0.165  0.835  0.920  1.0
  F  F21  1  0.964  0.482  0.250  1.0
  F  F22  1  0.165  0.835  0.580  1.0
  F  F23  1  0.835  0.165  0.420  1.0
  F  F24  1  0.482  0.964  0.750  1.0
  F  F25  1  0.518  0.036  0.250  1.0
  F  F26  1  0.165  0.331  0.920  1.0
  F  F27  1  0.482  0.518  0.750  1.0
  F  F28  1  0.669  0.835  0.580  1.0
  F  F29  1  0.835  0.165  0.080  1.0
[/CIF]
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The material described by RbCoF3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form RbF12 cuboctahedra that share corners with six equivalent Rb(1)F12 cuboctahedra, corners with six equivalent Rb(2)F12 cuboctahedra, faces with six equivalent Rb(2)F12 cuboctahedra, faces with two equivalent Co(2)F6 octahedra, and faces with six equivalent Co(1)F6 octahedra. In the second Rb site, Rb(2) is bonded to three equivalent F(1) and nine equivalent F(2) atoms to form RbF12 cuboctahedra that share corners with three equivalent Rb(1)F12 cuboctahedra, corners with six equivalent Rb(2)F12 cuboctahedra, corners with three equivalent Co(1)F6 octahedra, faces with three equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Rb(2)F12 cuboctahedra, faces with three equivalent Co(2)F6 octahedra, and faces with four equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form CoF6 octahedra that share corners with three equivalent Rb(2)F12 cuboctahedra, corners with three equivalent Co(2)F6 octahedra, faces with three equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Rb(2)F12 cuboctahedra, and  a faceface with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Co site, Co(2) is bonded to six equivalent F(2) atoms to form CoF6 octahedra that share corners with six equivalent Co(1)F6 octahedra, faces with two equivalent Rb(1)F12 cuboctahedra, and faces with six equivalent Rb(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Co(1) atoms to form a mixture of distorted corner and face-sharing FRb4Co2 octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the second F site, F(2) is bonded in a distorted linear geometry to one Rb(1), three equivalent Rb(2), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.013
_cell_length_b   6.013
_cell_length_c   14.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   461.000
_cell_formula_units_Z   6
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  0.000  0.000  0.750  1.0
  Rb  Rb1  1  0.667  0.333  0.905  1.0
  Rb  Rb2  1  0.333  0.667  0.405  1.0
  Rb  Rb3  1  0.667  0.333  0.595  1.0
  Rb  Rb4  1  0.333  0.667  0.095  1.0
  Rb  Rb5  1  0.000  0.000  0.250  1.0
  Co  Co6  1  0.333  0.667  0.654  1.0
  Co  Co7  1  0.667  0.333  0.154  1.0
  Co  Co8  1  0.667  0.333  0.346  1.0
  Co  Co9  1  0.000  0.000  0.000  1.0
  Co  Co10  1  0.000  0.000  0.500  1.0
  Co  Co11  1  0.333  0.667  0.846  1.0
  F  F12  1  0.036  0.518  0.750  1.0
  F  F13  1  0.518  0.482  0.250  1.0
  F  F14  1  0.331  0.165  0.420  1.0
  F  F15  1  0.669  0.835  0.920  1.0
  F  F16  1  0.165  0.331  0.580  1.0
  F  F17  1  0.835  0.669  0.420  1.0
  F  F18  1  0.835  0.669  0.080  1.0
  F  F19  1  0.331  0.165  0.080  1.0
  F  F20  1  0.165  0.835  0.920  1.0
  F  F21  1  0.964  0.482  0.250  1.0
  F  F22  1  0.165  0.835  0.580  1.0
  F  F23  1  0.835  0.165  0.420  1.0
  F  F24  1  0.482  0.964  0.750  1.0
  F  F25  1  0.518  0.036  0.250  1.0
  F  F26  1  0.165  0.331  0.920  1.0
  F  F27  1  0.482  0.518  0.750  1.0
  F  F28  1  0.669  0.835  0.580  1.0
  F  F29  1  0.835  0.165  0.080  1.0
[/CIF]
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