data_global
_amcsd_formula_title '(Li.43K.57)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
 Note: occupancies invented to match formula
;
_database_code_amcsd 0013251
_chemical_formula_sum 'Li.86 K1.14 C O3'
_cell_length_a 7.2232
_cell_length_b 7.0769
_cell_length_c 7.5951
_cell_angle_alpha 90
_cell_angle_beta 127.422
_cell_angle_gamma 90
_cell_volume 308.337
_exptl_crystal_density_diffrn      2.381
_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
_atom_site_occupancy
Li1   0.40300   0.06810   0.10070   0.86000
K1   0.40300   0.06810   0.10070   0.14000
K2  -0.17200   0.35450   0.16700   1.00000
C   0.29380   0.33220   0.21360   1.00000
O1   0.74370  -0.02440   0.21040   1.00000
O2   0.16020   0.18980   0.12930   1.00000
O3   0.47850   0.33270   0.21940   1.00000
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
Li1 0.01220 0.01780 0.02150 0.00430 0.01550 0.00070
K1 0.01220 0.01780 0.02150 0.00430 0.01550 0.00070
K2 0.00870 0.01650 0.04090 -0.00240 0.01620 -0.00180
C 0.01300 0.00830 0.02030 -0.00450 0.01420 -0.00650
O1 0.01970 0.01010 0.02290 0.00440 0.01700 0.00710
O2 0.01800 0.00840 0.04380 -0.00290 0.02340 -0.00120
O3 0.01850 0.02170 0.05010 -0.00590 0.02940 -0.01020