#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/43/8104305.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_8104305
loop_
_publ_author_name
'Hartmann, P.'
_publ_section_title
;
 A uniform description of phenakite type structures as superstructures of
 beta-Si3 N4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              139
_journal_page_last               143
_journal_volume                  187
_journal_year                    1989
_chemical_formula_sum            'Li2 O4 Se'
_chemical_name_systematic        'Li2 (Se O4)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   13.931
_cell_length_b                   13.931
_cell_length_c                   9.304
_cell_volume                     1563.741
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Hartmann_ZEKRDZ_1989_1958.cif
_cod_data_source_block           Li2O4Se1
_cod_original_formula_sum        'Li2 O4 Se1'
_cod_database_code               8104305
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0.2085 0.1299 0.1043 1 0.0
Li1 Li+1 0.2115 0.1913 0.5847 1 0.0
Li2 Li+1 0.2074 0.1905 0.9142 1 0.0
O3 O-2 0.2093 0.1277 0.3928 1 0.0
O4 O-2 0.2154 0.1104 0.7492 1 0.0
O1 O-2 0.3241 0.3198 0.2515 1 0.0
Se1 Se+6 0.2126 0.1979 0.2495 1 0.0
