data_Mn3CrF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3CrF
_chemical_formula_sum   'Mn3 Cr1 F1'
_cell_volume   135.02
_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
  Mn  Mn1  1  0.57  0.0  0.57  1.0
  Mn  Mn2  1  0.57  0.57  0.0  1.0
  Mn  Mn3  1  0.0  0.57  0.57  1.0
  Cr  Cr0  1  0.57  0.57  0.57  1.0
  F  F4  1  0.0  0.0  0.0  1.0

data_Mn3CrF
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mn3CrF
_chemical_formula_sum   'Mn9 Cr3 F3'
_cell_volume   405.07
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Mn  Mn0  9  0.19  0.38  0.38  1.0
  Cr  Cr1  3  0.0  0.0  0.57  1.0
  F  F2  3  0.0  0.0  0.0  1.0

Mn Mn Mn Cr F
Mn Mn Mn Cr F 0 3 o - o 0 4 + o + 0 4 + o o 0 4 o o + 1 3 o o - 1 4 + + o 1 4 + o o 1 4 o + o 2 3 - o o 2 4 o + + 2 4 o + o 2 4 o o + 3 4 + + + 
(CrMn3)2F2 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. The structure consists of three hydrofluoric acid atoms inside a CrMn3 framework. In the CrMn3 framework, Cr(1) is bonded to six equivalent Mn(1) atoms to form corner-sharing CrMn6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.23 Å) and three longer (2.90 Å) Cr(1)-Mn(1) bond lengths. Mn(1) is bonded in a distorted linear geometry to two equivalent Cr(1) atoms.