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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/56/1535655.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_1535655
loop_
_publ_author_name
'Huang, F.Q.'
'Deng, B.'
'Ellis, D.E.'
'Ibers, J.A.'
_publ_section_title
;
 Preparation, structures, and band gaps of RbInS2 and RbInSe2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2128
_journal_page_last               2132
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'In Rb Se2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.16
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   11.477
_cell_length_b                   11.471
_cell_length_c                   16.186
_cell_volume                     2097.515
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Huang_JSSCBI_2005_1928.cif
_cod_data_source_block           In1Rb1Se2
_cod_original_formula_sum        'In1 Rb1 Se2'
_cod_database_code               1535655
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
Se1 Se-2 0.04739 0.31277 0.43886 1 0.0
In1 In+3 0.10187 0.18821 0.16033 1 0.0
Rb2 Rb+1 0.46503 0.31279 0.11011 1 0.0
Se4 Se-2 0 0.05003 0.25 1 0.0
In2 In+3 0.14671 0.43691 0.33937 1 0.0
Se5 Se-2 0 0.57499 0.25 1 0.0
Rb1 Rb+1 0.28391 0.06242 0.38619 1 0.0
Se3 Se-2 0.26244 0.31245 0.24993 1 0.0
Se2 Se-2 0.20298 0.06226 0.06198 1 0.0
