#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/80/1528090.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_1528090
loop_
_publ_author_name
'Stewner, F.'
'Hoppe, R.'
_publ_section_title
;
 Kationenreiche Oxide. Die Kristallstruktur von Li3 In O3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              239
_journal_page_last               258
_journal_volume                  374
_journal_year                    1970
_chemical_formula_sum            'In Li3 O3'
_chemical_name_systematic        'Li3 In O3'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   9.6064
_cell_length_b                   9.6064
_cell_length_c                   10.42
_cell_volume                     832.760
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Stewner_ZAACAB_1970_1254.cif
_cod_data_source_block           In1Li3O3
_cod_original_cell_volume        832.7596
_cod_original_formula_sum        'In1 Li3 O3'
_cod_database_code               1528090
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
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
O3 O-2 0.769 0.556 0.1259 1 0.0
In3 In+3 0.3332 0 0.25 1 0.0
In2 In+3 0.3333 0.6667 0.2683 1 0.0
Li1 Li+1 0.134 0.229 0.431 1 0.0
O2 O-2 0.439 0.879 0.1359 1 0.0
Li2 Li+1 0.431 0.911 0.443 1 0.0
In1 In+3 0 0 0.25 1 0.0
O1 O-2 0.096 0.218 0.1267 1 0.0
Li3 Li+1 0.8 0.552 0.436 1 0.0
