The crystal structure described by Rb6CrMn2Cl12 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one Cl(1), four equivalent Cl(3), and four equivalent Cl(4) atoms. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to four equivalent Cl(5) and five equivalent Cl(2) atoms. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to one Cl(3), four equivalent Cl(1), and four equivalent Cl(5) atoms. Cr(1) is bonded to two equivalent Cl(3) and four equivalent Cl(4) atoms to form corner-sharing CrCl6 octahedra. The corner-sharing octahedra are not tilted. Mn(1) is bonded to one Cl(1), one Cl(2), and four equivalent Cl(5) atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Rb(1), four equivalent Rb(3), and one Mn(1) atom to form distorted ClRb5Mn octahedra that share  a cornercorner with one Cl(2)Rb5Mn octahedra, corners with four equivalent Cl(4)Rb4Cr2 octahedra, corners with four equivalent Cl(1)Rb5Mn octahedra, corners with eight equivalent Cl(5)Rb4Mn2 octahedra, edges with four equivalent Cl(3)Rb5Cr octahedra, edges with four equivalent Cl(1)Rb5Mn octahedra, and faces with four equivalent Cl(5)Rb4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second Cl site, Cl(2) is bonded to five equivalent Rb(2) and one Mn(1) atom to form distorted ClRb5Mn octahedra that share  a cornercorner with one Cl(1)Rb5Mn octahedra, corners with four equivalent Cl(2)Rb5Mn octahedra, corners with twelve equivalent Cl(5)Rb4Mn2 octahedra, edges with eight equivalent Cl(2)Rb5Mn octahedra, and faces with four equivalent Cl(5)Rb4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the third Cl site, Cl(3) is bonded to one Rb(3), four equivalent Rb(1), and one Cr(1) atom to form distorted ClRb5Cr octahedra that share corners with four equivalent Cl(5)Rb4Mn2 octahedra, corners with five equivalent Cl(3)Rb5Cr octahedra, corners with eight equivalent Cl(4)Rb4Cr2 octahedra, edges with four equivalent Cl(3)Rb5Cr octahedra, edges with four equivalent Cl(1)Rb5Mn octahedra, and faces with four equivalent Cl(4)Rb4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fourth Cl site, Cl(4) is bonded to four equivalent Rb(1) and two equivalent Cr(1) atoms to form ClRb4Cr2 octahedra that share corners with two equivalent Cl(4)Rb4Cr2 octahedra, corners with four equivalent Cl(1)Rb5Mn octahedra, corners with eight equivalent Cl(3)Rb5Cr octahedra, edges with two equivalent Cl(4)Rb4Cr2 octahedra, faces with four equivalent Cl(4)Rb4Cr2 octahedra, and faces with four equivalent Cl(3)Rb5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fifth Cl site, Cl(5) is bonded to two equivalent Rb(2), two equivalent Rb(3), and two equivalent Mn(1) atoms to form distorted ClRb4Mn2 octahedra that share corners with two equivalent Cl(5)Rb4Mn2 octahedra, corners with two equivalent Cl(3)Rb5Cr octahedra, corners with four equivalent Cl(1)Rb5Mn octahedra, corners with six equivalent Cl(2)Rb5Mn octahedra, edges with two equivalent Cl(5)Rb4Mn2 octahedra, faces with two equivalent Cl(1)Rb5Mn octahedra, faces with two equivalent Cl(2)Rb5Mn octahedra, and faces with four equivalent Cl(5)Rb4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF card [CIF]
data_Rb6Mn2CrCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.098
_cell_length_b   5.098
_cell_length_c   24.632
_cell_angle_alpha   84.060
_cell_angle_beta   84.060
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.244
_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  0.453  0.453  0.093  1.0
  Rb  Rb1  1  0.786  0.786  0.428  1.0
  Rb  Rb2  1  0.119  0.119  0.762  1.0
  Rb  Rb3  1  0.881  0.881  0.238  1.0
  Rb  Rb4  1  0.214  0.214  0.572  1.0
  Rb  Rb5  1  0.547  0.547  0.907  1.0
  Mn  Mn6  1  0.333  0.333  0.333  1.0
  Mn  Mn7  1  0.667  0.667  0.667  1.0
  Cr  Cr8  1  0.000  0.000  0.000  1.0
  Cl  Cl9  1  0.385  0.385  0.230  1.0
  Cl  Cl10  1  0.718  0.718  0.563  1.0
  Cl  Cl11  1  0.050  0.050  0.900  1.0
  Cl  Cl12  1  0.950  0.950  0.100  1.0
  Cl  Cl13  1  0.282  0.282  0.437  1.0
  Cl  Cl14  1  0.615  0.615  0.770  1.0
  Cl  Cl15  1  0.500  0.000  0.000  1.0
  Cl  Cl16  1  0.833  0.333  0.333  1.0
  Cl  Cl17  1  0.167  0.667  0.667  1.0
  Cl  Cl18  1  0.333  0.833  0.333  1.0
  Cl  Cl19  1  0.667  0.167  0.667  1.0
  Cl  Cl20  1  0.000  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Rb6CrMn2Cl12 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one Cl(1), four equivalent Cl(3), and four equivalent Cl(4) atoms. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to four equivalent Cl(5) and five equivalent Cl(2) atoms. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to one Cl(3), four equivalent Cl(1), and four equivalent Cl(5) atoms. Cr(1) is bonded to two equivalent Cl(3) and four equivalent Cl(4) atoms to form corner-sharing CrCl6 octahedra. The corner-sharing octahedra are not tilted. Mn(1) is bonded to one Cl(1), one Cl(2), and four equivalent Cl(5) atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Rb(1), four equivalent Rb(3), and one Mn(1) atom to form distorted ClRb5Mn octahedra that share  a cornercorner with one Cl(2)Rb5Mn octahedra, corners with four equivalent Cl(4)Rb4Cr2 octahedra, corners with four equivalent Cl(1)Rb5Mn octahedra, corners with eight equivalent Cl(5)Rb4Mn2 octahedra, edges with four equivalent Cl(3)Rb5Cr octahedra, edges with four equivalent Cl(1)Rb5Mn octahedra, and faces with four equivalent Cl(5)Rb4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second Cl site, Cl(2) is bonded to five equivalent Rb(2) and one Mn(1) atom to form distorted ClRb5Mn octahedra that share  a cornercorner with one Cl(1)Rb5Mn octahedra, corners with four equivalent Cl(2)Rb5Mn octahedra, corners with twelve equivalent Cl(5)Rb4Mn2 octahedra, edges with eight equivalent Cl(2)Rb5Mn octahedra, and faces with four equivalent Cl(5)Rb4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the third Cl site, Cl(3) is bonded to one Rb(3), four equivalent Rb(1), and one Cr(1) atom to form distorted ClRb5Cr octahedra that share corners with four equivalent Cl(5)Rb4Mn2 octahedra, corners with five equivalent Cl(3)Rb5Cr octahedra, corners with eight equivalent Cl(4)Rb4Cr2 octahedra, edges with four equivalent Cl(3)Rb5Cr octahedra, edges with four equivalent Cl(1)Rb5Mn octahedra, and faces with four equivalent Cl(4)Rb4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fourth Cl site, Cl(4) is bonded to four equivalent Rb(1) and two equivalent Cr(1) atoms to form ClRb4Cr2 octahedra that share corners with two equivalent Cl(4)Rb4Cr2 octahedra, corners with four equivalent Cl(1)Rb5Mn octahedra, corners with eight equivalent Cl(3)Rb5Cr octahedra, edges with two equivalent Cl(4)Rb4Cr2 octahedra, faces with four equivalent Cl(4)Rb4Cr2 octahedra, and faces with four equivalent Cl(3)Rb5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fifth Cl site, Cl(5) is bonded to two equivalent Rb(2), two equivalent Rb(3), and two equivalent Mn(1) atoms to form distorted ClRb4Mn2 octahedra that share corners with two equivalent Cl(5)Rb4Mn2 octahedra, corners with two equivalent Cl(3)Rb5Cr octahedra, corners with four equivalent Cl(1)Rb5Mn octahedra, corners with six equivalent Cl(2)Rb5Mn octahedra, edges with two equivalent Cl(5)Rb4Mn2 octahedra, faces with two equivalent Cl(1)Rb5Mn octahedra, faces with two equivalent Cl(2)Rb5Mn octahedra, and faces with four equivalent Cl(5)Rb4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF card [CIF]
data_Rb6Mn2CrCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.098
_cell_length_b   5.098
_cell_length_c   24.632
_cell_angle_alpha   84.060
_cell_angle_beta   84.060
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.244
_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  0.453  0.453  0.093  1.0
  Rb  Rb1  1  0.786  0.786  0.428  1.0
  Rb  Rb2  1  0.119  0.119  0.762  1.0
  Rb  Rb3  1  0.881  0.881  0.238  1.0
  Rb  Rb4  1  0.214  0.214  0.572  1.0
  Rb  Rb5  1  0.547  0.547  0.907  1.0
  Mn  Mn6  1  0.333  0.333  0.333  1.0
  Mn  Mn7  1  0.667  0.667  0.667  1.0
  Cr  Cr8  1  0.000  0.000  0.000  1.0
  Cl  Cl9  1  0.385  0.385  0.230  1.0
  Cl  Cl10  1  0.718  0.718  0.563  1.0
  Cl  Cl11  1  0.050  0.050  0.900  1.0
  Cl  Cl12  1  0.950  0.950  0.100  1.0
  Cl  Cl13  1  0.282  0.282  0.437  1.0
  Cl  Cl14  1  0.615  0.615  0.770  1.0
  Cl  Cl15  1  0.500  0.000  0.000  1.0
  Cl  Cl16  1  0.833  0.333  0.333  1.0
  Cl  Cl17  1  0.167  0.667  0.667  1.0
  Cl  Cl18  1  0.333  0.833  0.333  1.0
  Cl  Cl19  1  0.667  0.167  0.667  1.0
  Cl  Cl20  1  0.000  0.500  0.000  1.0
[/CIF]
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