The structure described by RbCoBr3 crystallizes in the trigonal P3c1 space group. Rb(1) is bonded to four equivalent Br(1), four equivalent Br(2), and four equivalent Br(3) atoms to form distorted RbBr12 cuboctahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, corners with two equivalent Co(1)Br6 octahedra, corners with two equivalent Co(2)Br6 octahedra, corners with two equivalent Co(3)Br6 octahedra, faces with eight equivalent Rb(1)Br12 cuboctahedra, faces with two equivalent Co(1)Br6 octahedra, faces with two equivalent Co(2)Br6 octahedra, and faces with two equivalent Co(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Br(2) atoms to form CoBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent Co(1)Br6 octahedra. In the second Co site, Co(2) is bonded to six equivalent Br(3) atoms to form CoBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent Co(2)Br6 octahedra. In the third Co site, Co(3) is bonded to six equivalent Br(1) atoms to form CoBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent Co(3)Br6 octahedra. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent Co(3) atoms. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent Co(1) atoms. In the third Br site, Br(3) is bonded to four equivalent Rb(1) and two equivalent Co(2) atoms to form a mixture of distorted corner and face-sharing BrRb4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-71°. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCoBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.916
_cell_length_b   12.916
_cell_length_c   6.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   902.003
_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  0.334  0.333  0.270  1.0
  Rb  Rb1  1  0.667  0.001  0.270  1.0
  Rb  Rb2  1  0.667  0.666  0.770  1.0
  Rb  Rb3  1  0.999  0.666  0.270  1.0
  Rb  Rb4  1  0.999  0.333  0.770  1.0
  Rb  Rb5  1  0.334  0.001  0.770  1.0
  Co  Co6  1  0.333  0.667  0.051  1.0
  Co  Co7  1  0.333  0.667  0.551  1.0
  Co  Co8  1  0.667  0.333  0.007  1.0
  Co  Co9  1  0.667  0.333  0.507  1.0
  Co  Co10  1  0.000  0.000  0.992  1.0
  Co  Co11  1  0.000  0.000  0.492  1.0
  Br  Br12  1  0.000  0.158  0.241  1.0
  Br  Br13  1  0.842  0.842  0.241  1.0
  Br  Br14  1  0.842  1.000  0.741  1.0
  Br  Br15  1  0.158  1.000  0.241  1.0
  Br  Br16  1  0.158  0.158  0.741  1.0
  Br  Br17  1  0.000  0.842  0.741  1.0
  Br  Br18  1  0.174  0.507  0.303  1.0
  Br  Br19  1  0.493  0.667  0.303  1.0
  Br  Br20  1  0.493  0.826  0.803  1.0
  Br  Br21  1  0.333  0.826  0.303  1.0
  Br  Br22  1  0.333  0.507  0.803  1.0
  Br  Br23  1  0.174  0.667  0.803  1.0
  Br  Br24  1  0.508  0.174  0.257  1.0
  Br  Br25  1  0.826  0.334  0.257  1.0
  Br  Br26  1  0.826  0.492  0.757  1.0
  Br  Br27  1  0.666  0.492  0.257  1.0
  Br  Br28  1  0.666  0.174  0.757  1.0
  Br  Br29  1  0.508  0.334  0.757  1.0
[/CIF]
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The structure described by RbCoBr3 crystallizes in the trigonal P3c1 space group. Rb(1) is bonded to four equivalent Br(1), four equivalent Br(2), and four equivalent Br(3) atoms to form distorted RbBr12 cuboctahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, corners with two equivalent Co(1)Br6 octahedra, corners with two equivalent Co(2)Br6 octahedra, corners with two equivalent Co(3)Br6 octahedra, faces with eight equivalent Rb(1)Br12 cuboctahedra, faces with two equivalent Co(1)Br6 octahedra, faces with two equivalent Co(2)Br6 octahedra, and faces with two equivalent Co(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Br(2) atoms to form CoBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent Co(1)Br6 octahedra. In the second Co site, Co(2) is bonded to six equivalent Br(3) atoms to form CoBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent Co(2)Br6 octahedra. In the third Co site, Co(3) is bonded to six equivalent Br(1) atoms to form CoBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent Co(3)Br6 octahedra. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent Co(3) atoms. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent Co(1) atoms. In the third Br site, Br(3) is bonded to four equivalent Rb(1) and two equivalent Co(2) atoms to form a mixture of distorted corner and face-sharing BrRb4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-71°. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCoBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.916
_cell_length_b   12.916
_cell_length_c   6.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   902.003
_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  0.334  0.333  0.270  1.0
  Rb  Rb1  1  0.667  0.001  0.270  1.0
  Rb  Rb2  1  0.667  0.666  0.770  1.0
  Rb  Rb3  1  0.999  0.666  0.270  1.0
  Rb  Rb4  1  0.999  0.333  0.770  1.0
  Rb  Rb5  1  0.334  0.001  0.770  1.0
  Co  Co6  1  0.333  0.667  0.051  1.0
  Co  Co7  1  0.333  0.667  0.551  1.0
  Co  Co8  1  0.667  0.333  0.007  1.0
  Co  Co9  1  0.667  0.333  0.507  1.0
  Co  Co10  1  0.000  0.000  0.992  1.0
  Co  Co11  1  0.000  0.000  0.492  1.0
  Br  Br12  1  0.000  0.158  0.241  1.0
  Br  Br13  1  0.842  0.842  0.241  1.0
  Br  Br14  1  0.842  1.000  0.741  1.0
  Br  Br15  1  0.158  1.000  0.241  1.0
  Br  Br16  1  0.158  0.158  0.741  1.0
  Br  Br17  1  0.000  0.842  0.741  1.0
  Br  Br18  1  0.174  0.507  0.303  1.0
  Br  Br19  1  0.493  0.667  0.303  1.0
  Br  Br20  1  0.493  0.826  0.803  1.0
  Br  Br21  1  0.333  0.826  0.303  1.0
  Br  Br22  1  0.333  0.507  0.803  1.0
  Br  Br23  1  0.174  0.667  0.803  1.0
  Br  Br24  1  0.508  0.174  0.257  1.0
  Br  Br25  1  0.826  0.334  0.257  1.0
  Br  Br26  1  0.826  0.492  0.757  1.0
  Br  Br27  1  0.666  0.492  0.257  1.0
  Br  Br28  1  0.666  0.174  0.757  1.0
  Br  Br29  1  0.508  0.334  0.757  1.0
[/CIF]
.