#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/60/1536075.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_1536075
loop_
_publ_author_name
'Jansen, M.'
'Kraft, T.'
_publ_section_title
;
 Li2H3IO6, eine neue Variante der Molybdaenitstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              53
_journal_page_last               57
_journal_volume                  620
_journal_year                    1994
_chemical_formula_sum            'H3 I Li2 O6'
_chemical_name_systematic        'Li2 (H3 I O6)'
_space_group_IT_number           169
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.297
_cell_length_b                   5.297
_cell_length_c                   27.596
_cell_volume                     670.559
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jansen_ZAACAB_1994_1574.cif
_cod_data_source_block           H3I1Li2O6
_cod_original_cell_volume        670.5586
_cod_original_formula_sum        'H3 I1 Li2 O6'
_cod_database_code               1536075
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/6
-y,x-y,z+1/3
-x,-y,z+1/2
-x+y,-x,z+2/3
y,-x+y,z+5/6
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 0.2435 0.007 0.047 1 0.0
Li2 Li+1 0.2964 0.6896 0.089 1 0.0
O6 O-2 0.9475 0.7114 0.1225 1 0.0
I1 I+7 0.9529 0.0106 0.08274 1 0.0
O4 O-2 0.6497 0.0117 0.1215 1 0.0
O2 O-2 -0.053 0.3158 0.0463 1 0.0
O5 O-2 0.2341 0.3115 0.1215 1 0.0
Li1 Li+1 0.6032 0.3376 0.0851 1 0.0
O1 O-2 -0.3413 -0.2718 0.0484 1 0.0
