#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/00/89/9008987.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_9008987
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Lithium peroxide
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Li2O2
_chemical_formula_sum            'Li2 O2'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.142
_cell_length_b                   3.142
_cell_length_c                   7.650
_cell_formula_units_Z            2
_cell_volume                     65.404
_database_code_amcsd             0011665
_exptl_crystal_density_diffrn    2.330
_cod_database_code               9008987
_amcsd_formula_title             Li2O2
loop_
_space_group_symop_operation_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li1 0.00000 0.00000 0.00000
Li2 0.33333 0.66667 0.50000
Li3 0.66667 0.33333 0.25000
O1 0.00000 0.00000 0.40100
O2 0.33333 0.66667 0.10000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 23787
2 AMCSD 0011665
