#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/54/1535484.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_1535484
loop_
_publ_author_name
'Hoennerscheid, A.'
'Nuss, J.'
'Muehle, C.'
'Jansen, M.'
_publ_section_title
;
 Die Kristallstrukturen der Hydroxyhalogenide Li4 (O H)3 Br und Li4 (O H)3
 I
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              317
_journal_page_last               320
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'H3 I Li4 O3'
_chemical_name_systematic        'Li4 (O H)3 I'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.295
_cell_length_b                   5.2588
_cell_length_c                   5.732
_cell_volume                     310.327
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hoennerscheid_ZAACAB_2003_784.cif
_cod_data_source_block           H3I1Li4O3
_cod_original_cell_volume        310.3267
_cod_original_formula_sum        'H3 I1 Li4 O3'
_cod_database_code               1535484
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z
-x,y+1/2,-z
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z
x,-y-1/2,z
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 0.25 -0.25 -0.069 1 0.0
O2 O-2 0.4767 0.25 0.8874 1 0.0
I1 I-1 0.25 0.25 0.39415 1 0.0
Li4 Li+1 0.3844 -0.022 0.035 1 0.0
