#------------------------------------------------------------------------------
#$Date: 2015-10-10 00:25:11 +0200 (Sat, 10 Oct 2015) $
#$Revision: 163645 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/60/1536063.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_1536063
loop_
_publ_author_name
'Jansen, M.'
'Hoppe, R.'
'Kastner, P.'
_publ_section_title
;
 Zur Kenntnis der Systeme Li2 O/Co O und Li2 O/Zn O
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              69
_journal_page_last               75
_journal_volume                  414
_journal_year                    1975
_chemical_formula_sum            'O3 Zn0.64125'
_chemical_name_systematic        'Li4 Zn O3'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            16
_cell_length_a                   13.14
_cell_length_b                   13.14
_cell_length_c                   7.99
_cell_volume                     1194.726
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jansen_ZAACAB_1975_720.cif
_cod_data_source_block           O3Zn0.64125
_cod_database_code               1536063
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,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
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+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
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+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
Zn2 Zn+2 0.497 -0.497 0.25 0.5 0.0
O3 O-2 0.748 -0.748 0.023 1 0.0
O1 O-2 0.246 0.245 0.038 1 0.0
Zn1 Zn+2 0 0 0.716 0.09 0.0
Zn3 Zn+2 0.256 -0.256 0.757 0.37 0.0
Zn4 Zn+2 0.755 -0.755 0.746 0.24 0.0
O5 O-2 0 0 0.029 1 0.0
O2 O-2 0.243 -0.243 0.032 1 0.0
O4 O-2 0.497 -0.497 0.036 1 0.0
