data_1100110
_chemical_name_systematic
;
Potassium calcium flurine-carbonate
;
_chemical_formula_structural       'Ca F K (CO3)'
_chemical_formula_sum              'C Ca F K (CO3)'
_publ_section_title
;
KCaFCO~3~, from X-ray Powder Data
;
loop_
_publ_author_name
  'Chen, X'
  'He, M'
  'Xu, Y'
  'Li H'
  'Tu Q'
_journal_name_full                 'ACTA CRYST. E'
_journal_volume                    60
_journal_year                      2004
_journal_page_first                i50
_journal_page_last                 i51
_cell_length_a                     5.10093(7)
_cell_length_b                     5.10093(7)
_cell_length_c                     4.45510(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                 120
_cell_volume                       100.389(5)
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M    'P -6 m 2'
_symmetry_Int_Tables_number        187
_symmetry_cell_setting             Hexagonal
loop_
_symmetry_equiv_pos_as_xyz
    'x,y,z'
    '-y,x-y,z'
    '-x+y,-x,z'
    'x,y,-z'
    '-y,x-y,-z'
    '-x+y,-x,-z'
    '-y,-x,z'
    '-x+y,y,z'
    'x,x-y,z'
    '-y,-x,-z'
    '-x+y,y,-z'
    'x,x-y,-z'
 loop_
_atom_type_symbol
_atom_type_oxidation_number
  C4+    4.000
  Ca2+   2.000
  K1+    1.000
  F1-   -1.000
  O2-   -2.000
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
  K   K1+  1 a   0        0        0    1 0 d
  C   C4+  1 f  .66667   .33333   .5    1 0 d
  Ca  Ca2+ 1 d  .33333   .66667   .5    1 0 d
  O   O2-  3 k  .8120(3) .1880(3) .5    1 0 d
  F   F1-  1 c  .33333   .66667   0     1 0 d
_refine_ls_R_factor_all            0.08