data_RbCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   7.8
_cell_angle_alpha   95.06
_cell_angle_beta   95.06
_cell_angle_gamma   65.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbCr3O8
_chemical_formula_sum   'Rb1 Cr3 O8'
_cell_volume   180.02
_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  Rb11  1  0.59  0.0  0.88  1.0
  Cr  Cr0  1  0.06  0.0  0.58  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.63  0.0  0.18  1.0
  O  O3  1  0.41  0.0  0.06  1.0
  O  O4  1  0.02  0.63  0.42  1.0
  O  O5  1  0.02  0.37  0.42  1.0
  O  O6  1  0.92  0.0  0.38  1.0
  O  O7  1  0.76  0.0  0.38  1.0
  O  O8  1  0.67  0.63  0.33  1.0
  O  O9  1  0.67  0.37  0.33  1.0
  O  O10  1  0.28  0.0  0.69  1.0

data_RbCr3O8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   7.8
_cell_angle_alpha   84.94
_cell_angle_beta   84.94
_cell_angle_gamma   65.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbCr3O8
_chemical_formula_sum   'Rb1 Cr3 O8'
_cell_volume   180.02
_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  0.41  0.0  0.88  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.37  0.0  0.18  1.0
  Cr  Cr3  1  0.94  0.0  0.58  1.0
  O  O4  1  0.08  0.0  0.38  1.0
  O  O5  1  0.24  0.0  0.38  1.0
  O  O6  1  0.33  0.37  0.33  1.0
  O  O7  1  0.33  0.63  0.33  1.0
  O  O8  1  0.59  0.0  0.06  1.0
  O  O9  1  0.72  0.0  0.69  1.0
  O  O10  1  0.98  0.37  0.42  1.0
  O  O11  1  0.98  0.63  0.42  1.0

Rb Cr Cr Cr O O O O O O O O
Rb Cr Cr Cr O O O O O O O O 0 11 o o o 0 4 o o + 0 2 + o + 1 7 - o o 1 11 o o o 2 3 - o o 2 4 o o o 3 4 o o o 3 8 o o o 5 6 o o o 7 8 o o o 9 10 o o o 
RbCr3O8 crystallizes in the triclinic P1 space group. Rb(1) is bonded in a 3-coordinate geometry to one Cr(2), one O(1), and one O(8) atom. The Rb(1)-Cr(2) bond length is 2.19 Å. The Rb(1)-O(1) bond length is 1.78 Å. The Rb(1)-O(8) bond length is 2.03 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted bent 150 degrees geometry to one O(2), one O(3), one O(4), and one O(8) atom. The Cr(1)-O(2) bond length is 2.21 Å. The Cr(1)-O(3) bond length is 2.26 Å. The Cr(1)-O(4) bond length is 1.66 Å. The Cr(1)-O(8) bond length is 1.38 Å. In the second Cr site, Cr(2) is bonded in a distorted linear geometry to one Rb(1) and one O(1) atom. The Cr(2)-O(1) bond length is 2.07 Å. In the third Cr site, Cr(3) is bonded in a distorted bent 150 degrees geometry to one O(1), one O(5), one O(6), and one O(7) atom. The Cr(3)-O(1) bond length is 1.38 Å. The Cr(3)-O(5) bond length is 1.66 Å. The Cr(3)-O(6) bond length is 2.26 Å. The Cr(3)-O(7) bond length is 2.21 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Rb(1), one Cr(2), and one Cr(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Cr(1), one O(3), one O(4), one O(5), and one O(6) atom. The O(2)-O(3) bond length is 1.28 Å. The O(2)-O(4) bond length is 1.80 Å. The O(2)-O(5) bond length is 1.83 Å. The O(2)-O(6) bond length is 1.87 Å. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1), one O(2), and one O(7) atom. The O(3)-O(7) bond length is 1.87 Å. In the fourth O site, O(4) is bonded in a water-like geometry to one Cr(1), one O(2), one O(5), and one O(7) atom. The O(4)-O(5) bond length is 0.81 Å. The O(4)-O(7) bond length is 1.83 Å. In the fifth O site, O(5) is bonded in a water-like geometry to one Cr(3), one O(2), one O(4), and one O(7) atom. The O(5)-O(7) bond length is 1.80 Å. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cr(3), one O(2), and one O(7) atom. The O(6)-O(7) bond length is 1.28 Å. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cr(3), one O(3), one O(4), one O(5), and one O(6) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Rb(1) and one Cr(1) atom.