#------------------------------------------------------------------------------
#$Date: 2018-07-07 03:59:37 +0200 (Sat, 07 Jul 2018) $
#$Revision: 208902 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/01/08/1010872.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010872
loop_
_publ_author_name
'Eitel, W'
'Skaliks, W'
_publ_section_title
;
Ueber einige Doppelcarbonate der Alkalien und Erdalkalien
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              263
_journal_page_last               286
_journal_paper_doi               10.1002/zaac.19291830119
_journal_volume                  183
_journal_year                    1929
_chemical_formula_structural     'Na Li (C O3)'
_chemical_formula_sum            'C Li Na O3'
_chemical_name_systematic        'Sodium lithium carbonate'
_space_group_IT_number           187
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.22
_cell_length_b                   8.22
_cell_length_c                   3.27
_cell_volume                     191.3
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Li Na O3'
 to 'C Li Na O3'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1010872
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
x,y,-z
-y,x-y,-z
y-x,-x,-z
-y,-x,z
y-x,y,z
x,x-y,z
-y,-x,-z
y-x,y,-z
x,x-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
C1 C4+ 1 a 0. 0. 0. 1. 0 d
C2 C4+ 1 d 0.3333 0.6667 0.5 1. 0 d
C3 C4+ 1 f 0.6667 0.3333 0.5 1. 0 d
Na1 Na1+ 1 b 0. 0. 0.5 1. 0 d
Na2 Na1+ 1 c 0.3333 0.6667 0. 1. 0 d
Na3 Na1+ 1 e 0.6667 0.3333 0. 1. 0 d
Li1 Li1+ 3 k 0.5 0. 0.5 1. 0 d
O1 O2- 3 j -0.125 0.125 0. 1. 0 d
O2 O2- 3 j 0.5417 -0.5417 0. 1. 0 d
O3 O2- 3 j 0.2083 -0.2083 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
C4+ 4.000
Na1+ 1.000
Li1+ 1.000
O2- -2.000
