The structure described by RbCoBr3 crystallizes in the hexagonal P6_3cm space group. Rb(1) is bonded to four equivalent Br(2) and eight equivalent Br(1) 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 four equivalent Co(2)Br6 octahedra, faces with eight equivalent Rb(1)Br12 cuboctahedra, faces with two equivalent Co(1)Br6 octahedra, and faces with four equivalent Co(2)Br6 octahedra. The corner-sharing octahedral tilt angles range from 14-18°. There are two 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(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(2)Br6 octahedra. There are two 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(2) 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. is represented by the CIF card [CIF]
data_RbCoBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.056
_cell_length_b   13.056
_cell_length_c   6.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   919.670
_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  0.666  0.000  0.205  1.0
  Rb  Rb1  1  0.000  0.666  0.205  1.0
  Rb  Rb2  1  0.334  0.000  0.705  1.0
  Rb  Rb3  1  0.000  0.334  0.705  1.0
  Rb  Rb4  1  0.334  0.334  0.205  1.0
  Rb  Rb5  1  0.666  0.666  0.705  1.0
  Co  Co6  1  0.000  0.000  0.987  1.0
  Co  Co7  1  0.000  0.000  0.487  1.0
  Co  Co8  1  0.333  0.667  0.434  1.0
  Co  Co9  1  0.667  0.333  0.934  1.0
  Co  Co10  1  0.333  0.667  0.934  1.0
  Co  Co11  1  0.667  0.333  0.434  1.0
  Br  Br12  1  0.176  0.509  0.183  1.0
  Br  Br13  1  0.491  0.667  0.183  1.0
  Br  Br14  1  0.824  0.491  0.683  1.0
  Br  Br15  1  0.491  0.824  0.683  1.0
  Br  Br16  1  0.333  0.824  0.183  1.0
  Br  Br17  1  0.509  0.333  0.683  1.0
  Br  Br18  1  0.333  0.509  0.683  1.0
  Br  Br19  1  0.509  0.176  0.183  1.0
  Br  Br20  1  0.667  0.176  0.683  1.0
  Br  Br21  1  0.667  0.491  0.183  1.0
  Br  Br22  1  0.176  0.667  0.683  1.0
  Br  Br23  1  0.824  0.333  0.183  1.0
  Br  Br24  1  0.157  0.000  0.239  1.0
  Br  Br25  1  0.000  0.157  0.239  1.0
  Br  Br26  1  0.843  0.000  0.739  1.0
  Br  Br27  1  0.000  0.843  0.739  1.0
  Br  Br28  1  0.843  0.843  0.239  1.0
  Br  Br29  1  0.157  0.157  0.739  1.0
[/CIF]
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The structure described by RbCoBr3 crystallizes in the hexagonal P6_3cm space group. Rb(1) is bonded to four equivalent Br(2) and eight equivalent Br(1) 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 four equivalent Co(2)Br6 octahedra, faces with eight equivalent Rb(1)Br12 cuboctahedra, faces with two equivalent Co(1)Br6 octahedra, and faces with four equivalent Co(2)Br6 octahedra. The corner-sharing octahedral tilt angles range from 14-18°. There are two 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(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(2)Br6 octahedra. There are two 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(2) 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. is represented by the CIF card [CIF]
data_RbCoBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.056
_cell_length_b   13.056
_cell_length_c   6.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   919.670
_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  0.666  0.000  0.205  1.0
  Rb  Rb1  1  0.000  0.666  0.205  1.0
  Rb  Rb2  1  0.334  0.000  0.705  1.0
  Rb  Rb3  1  0.000  0.334  0.705  1.0
  Rb  Rb4  1  0.334  0.334  0.205  1.0
  Rb  Rb5  1  0.666  0.666  0.705  1.0
  Co  Co6  1  0.000  0.000  0.987  1.0
  Co  Co7  1  0.000  0.000  0.487  1.0
  Co  Co8  1  0.333  0.667  0.434  1.0
  Co  Co9  1  0.667  0.333  0.934  1.0
  Co  Co10  1  0.333  0.667  0.934  1.0
  Co  Co11  1  0.667  0.333  0.434  1.0
  Br  Br12  1  0.176  0.509  0.183  1.0
  Br  Br13  1  0.491  0.667  0.183  1.0
  Br  Br14  1  0.824  0.491  0.683  1.0
  Br  Br15  1  0.491  0.824  0.683  1.0
  Br  Br16  1  0.333  0.824  0.183  1.0
  Br  Br17  1  0.509  0.333  0.683  1.0
  Br  Br18  1  0.333  0.509  0.683  1.0
  Br  Br19  1  0.509  0.176  0.183  1.0
  Br  Br20  1  0.667  0.176  0.683  1.0
  Br  Br21  1  0.667  0.491  0.183  1.0
  Br  Br22  1  0.176  0.667  0.683  1.0
  Br  Br23  1  0.824  0.333  0.183  1.0
  Br  Br24  1  0.157  0.000  0.239  1.0
  Br  Br25  1  0.000  0.157  0.239  1.0
  Br  Br26  1  0.843  0.000  0.739  1.0
  Br  Br27  1  0.000  0.843  0.739  1.0
  Br  Br28  1  0.843  0.843  0.239  1.0
  Br  Br29  1  0.157  0.157  0.739  1.0
[/CIF]
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