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 only 7Li
;
_database_code_amcsd 0013244
_chemical_formula_sum 'Li K C O3'
_cell_length_a 7.22284
_cell_length_b 7.07673
_cell_length_c 7.59397
_cell_angle_alpha 90
_cell_angle_beta 127.421
_cell_angle_gamma 90
_cell_volume 308.273
_exptl_crystal_density_diffrn      2.285
_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   0.40040   0.06760   0.10190
K  -0.17160   0.35530   0.16850
C   0.29390   0.33260   0.21320
O1   0.74360  -0.02430   0.20920
O2   0.15960   0.18990   0.12940
O3   0.47870   0.33280   0.22070
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 0.02340 0.03560 0.03840 0.00680 0.02750 0.00250
K 0.02250 0.02200 0.04470 -0.00100 0.02340 0.00230
C 0.02060 0.01890 0.02540 -0.00230 0.01650 -0.00390
O1 0.02960 0.01930 0.03100 0.00300 0.02400 0.00750
O2 0.03010 0.01680 0.04210 -0.00320 0.02770 -0.00260
O3 0.02850 0.02870 0.05520 -0.00940 0.03460 -0.01530