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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/76/1527615.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_1527615
loop_
_publ_author_name
'Kalinin, V.P.'
'Karataeva, I.M.'
'Vinogradov, E.E.'
'Vavilin, V.I.'
'Plyukhin, V.V.'
'Pakhomov, V.I.'
_publ_section_title
;
 Crystal structure of Rb I O3 (Li I O3)2
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              444
_journal_page_last               447
_journal_volume                  4
_journal_year                    1978
_chemical_formula_sum            'I3 Li2 O9 Rb'
_chemical_name_systematic        'Rb Li2 (I O3)3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                112
_cell_formula_units_Z            4
_cell_length_a                   8.46
_cell_length_b                   11.22
_cell_length_c                   11.09
_cell_volume                     976.024
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Kalinin_KOKHDC_1978_862.cif
_cod_data_source_block           I3Li2O9Rb1
_cod_original_cell_volume        976.0244
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'I3 Li2 O9 Rb1'
_cod_database_code               1527615
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z+1/2
-x,-y,-z
x,y-1/2,-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
O8 O-2 0.139 0.086 0.702 1 0.0
I3 I+5 0.915 0.064 0.369 1 0.0
O4 O-2 0.256 0.443 0.285 1 0.0
I2 I+5 0.412 0.046 0.32 1 0.0
I1 I+5 0.219 0.174 0.053 1 0.0
Li1 Li+1 0.009 0.335 0.278 1 0.0
O6 O-2 0.599 0.011 0.28 1 0.0
O7 O-2 0.976 0.172 0.242 1 0.0
O9 O-2 0.128 0.085 0.423 1 0.0
O3 O-2 0.656 0.158 0.536 1 0.0
O5 O-2 0.456 0.191 0.237 1 0.0
Li2 Li+1 0.619 0.375 0.284 1 0.0
O2 O-2 0.661 0.391 0.46 1 0.0
Rb1 Rb+1 0.708 0.162 0.044 1 0.0
O1 O-2 0.964 0.334 0.453 1 0.0
