data_1000295
_chemical_name_systematic          'Disodium manganese chromium fluoride'
_chemical_formula_structural       'Na2 Mn Cr F7'
_chemical_formula_sum              'Cr F7 Mn Na2'
_publ_section_title
;
On trigonal weberites: structure refinement of Na~2~MnCrF~7~ and
Na~2~MnGaF~7~
;
loop_
_publ_author_name
  'Courbion, G'
  'Ferey, G'
  'Holler, H'
  'Babel, D'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    25
_journal_year                      1988
_journal_page_first                435
_journal_page_last                 447
_cell_length_a                     7.421(3)
_cell_length_b                     7.421(3)
_cell_length_c                     18.166(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       866.4
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'P 31 2 1'
_symmetry_Int_Tables_number        152
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,1/3+z'
  'y-x,-x,2/3+z'
  'y,x,-z'
  '-x,y-x,1/3-z'
  'x-y,-y,2/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  Mn2+   2.000
  Cr3+   3.000
  F1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Na1   Na1+   6 c 0.5037(10) 0.8736(8) 0.6688(2) 1.  0 d
  Na2   Na1+   3 a 0.8504(15) 0. 0.3333 1.  0 d
  Na3   Na1+   3 b 0.8528(13) 0. 0.8333 1.  0 d
  Mn1   Mn2+   6 c 0.4979(3) 0.8370(3) 0.1703(5) 1.  0 d
  Cr1   Cr3+   3 a 0.3196(2) 0. 0.3333 1.  0 d
  Cr2   Cr3+   3 b 0.3398(2) 0. 0.8333 1.  0 d
  F1    F1-    6 c 0.7629(7) 0.2027(11) 0.6037(2) 1.  0 d
  F2    F1-    6 c 0.7885(11) 0.9284(7) 0.9461(2) 1.  0 d
  F3    F1-    6 c 0.5619(11) 0.4242(7) 0.0539(2) 1.  0 d
  F4    F1-    6 c 0.8075(7) 0.4302(7) 0.1901(2) 1.  0 d
  F5    F1-    6 c 0.0715(6) 0.3774(7) 0.2695(2) 1.  0 d
  F6    F1-    6 c 0.1945(7) 0.2487(7) 0.1450(2) 1.  0 d
  F7    F1-    6 c 0.0478(6) 0.4268(6) 0.87739(2) 1.  0 d
_refine_ls_R_factor_all            0.047