#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008283.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008283
loop_
_publ_author_name
'Effenberger, H.'
'Zemann, J.'
_publ_section_title
;
 Verfeinerung der kristallstruktur des lithiumkarbonates, Li2CO3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              133
_journal_page_last               138
_journal_volume                  150
_journal_year                    1979
_chemical_formula_sum            'C Li2 O3'
_chemical_name_mineral           Zabuyelite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.83
_cell_angle_gamma                90
_cell_length_a                   8.3593
_cell_length_b                   4.9725
_cell_length_c                   6.1975
_cell_volume                     233.795
_exptl_crystal_density_diffrn    2.099
_[local]_cod_chemical_formula_sum_orig 'Li2 C O3'
_cod_database_code               9008283
_amcsd_database_code             AMCSD#0010487
loop_
_symmetry_equiv_pos_as_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_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
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