data_global
_amcsd_formula_title 'Cu F K O3'
loop_
_publ_author_name
'Mercier N'
'Leblanc M'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 31 
_journal_year 1994
_journal_page_first 423
_journal_page_last 430
_publ_section_title
;
 Synthesis, characterization and crystal structure of a new copper
 fluorocarbonate K Cu (C O3) F
 _cod_database_code 1000372
;
_database_code_amcsd 0012589
_chemical_formula_sum 'K Cu F C O3'
_cell_length_a 3.972
_cell_length_b 5.038
_cell_length_c 9.005
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 180.198
_exptl_crystal_density_diffrn      3.348
_symmetry_space_group_name_H-M 'P m c 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1   0.50000   0.71080   0.07590
Cu1   0.00000   0.78330   0.73400
F1   0.50000   0.19610   0.22870
C1   0.00000   0.21680   0.91390
O1   0.00000   0.03980   0.42390
O2   0.00000   0.35450   0.03520
O3   0.00000   0.66740   0.28840
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K1 0.01230 0.01660 0.01920 0.00000 0.00000 0.00220
Cu1 0.00830 0.01190 0.00860 0.00000 0.00000 -0.00250
F1 0.01020 0.02680 0.02660 0.00000 0.00000 0.00120
C1 0.01100 0.01110 0.00770 0.00000 0.00000 0.00020
O1 0.01820 0.01060 0.00820 0.00000 0.00000 0.00010
O2 0.02150 0.01150 0.00860 0.00000 0.00000 -0.00190
O3 0.02410 0.01410 0.00820 0.00000 0.00000 -0.00310