data_global
_amcsd_formula_title '(Li.5K.5)2CO3'
loop_
_publ_author_name
'Idemoto Y'
'Richardson J W'
'Koura N'
'Kohara S'
'Loong C K'
_journal_name_full 'Journal of Physics and Chemistry of Solids'
_journal_volume 59 
_journal_year 1998
_journal_page_first 363
_journal_page_last 376
_publ_section_title
;
 Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1)
 by neutron powder diffraction analysis
 Sample: contains natural Li
;
_database_code_amcsd 0013245
_chemical_formula_sum 'Li K C O3'
_cell_length_a 7.22806
_cell_length_b 7.08181
_cell_length_c 7.59999
_cell_angle_alpha 90
_cell_angle_beta 127.418
_cell_angle_gamma 90
_cell_volume 308.974
_exptl_crystal_density_diffrn      2.280
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li   0.40330   0.07230   0.10220
K  -0.17210   0.35300   0.16830
C   0.29400   0.33300   0.21210
O1   0.74410  -0.02320   0.21010
O2   0.16060   0.18940   0.13130
O3   0.47860   0.33310   0.22030
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
Li 0.01750 0.04040 0.02380 0.01870 0.01640 0.01570
K 0.00970 0.01710 0.02800 -0.00220 0.01210 0.00100
C 0.00740 0.00560 0.00990 -0.00630 0.00690 -0.01060
O1 0.01520 0.00820 0.01430 0.00060 0.01140 0.00770
O2 0.01120 0.01100 0.02180 -0.00600 0.01200 -0.00530
O3 0.01150 0.02160 0.02910 -0.00560 0.01640 -0.11600