data_global
_chemical_name_mineral 'Zabuyelite'
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: single crystal X-ray diffraction refinement
 Note: y(O1) changed to match reported bond lengths
;
_database_code_amcsd 0013248
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Li2 C O3'
_cell_length_a 8.3593
_cell_length_b 4.9725
_cell_length_c 6.1975
_cell_angle_alpha 90
_cell_angle_beta 114.83
_cell_angle_gamma 90
_cell_volume 233.795
_exptl_crystal_density_diffrn      2.099
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li   0.19650   0.44840   0.83440
C   0.00000   0.06570   0.25000
O1   0.00000   0.32130   0.25000
O2   0.14590  -0.06350   0.31270
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 0.01545 0.01741 0.01779 0.00134 0.00735 0.00156
C 0.01021 0.01177 0.00817 0.00000 0.00411 0.00000
O1 0.01370 0.00752 0.03109 0.00000 0.00800 0.00000
O2 0.01079 0.01215 0.01635 0.00306 0.00519 0.00142