#------------------------------------------------------------------------------
#$Date: 2012-02-03 19:16:24 +0200 (Fri, 03 Feb 2012) $
#$Revision: 32112 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/02/2100227.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2100227
loop_
_publ_author_name
'Luis Guillermo Cota'
'Pablo de la Mora'
_publ_section_title
;
 On the structure of lithium peroxide, Li~2~O~2~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              133
_journal_page_last               136
_journal_volume                  61
_journal_year                    2005
_chemical_formula_structural     'Li2 O2'
_chemical_name_common            'lithium peroxide'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  -p_6c_2c
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.1830
_cell_length_b                   3.1830
_cell_length_c                   7.7258
_cell_volume                     67.787
_[local]_cod_data_source_file    ta5012.cif
_[local]_cod_data_source_block   1
_[local]_cod_cif_authors_sg_H-M  P_63/mmc
_cod_original_cell_volume        67.79
_cod_database_code               2100227
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li1 0 0 0
Li2 0.3333 -0.3333 0.25
O1 0.3333 -0.3333 -0.1497