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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/1/52/63/1526379.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_1526379
loop_
_publ_author_name
'Huang, F.Q.'
'Mitchell, K.'
'Ibers, J.A.'
_publ_section_title
;
 Syntheses and structures of the quaternary alkali-metal bismuth
 coinage-metal chalcogenides K3 Bi5 Cu2 S10, Cs Bi2 Cu S4, Rb Bi2.66 Cu
 Se5 and Cs Bi Ag2 S3
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              84
_journal_page_last               90
_journal_volume                  325
_journal_year                    2001
_chemical_formula_sum            'Bi2.66 Cu Rb Se5'
_chemical_name_systematic        'Rb Bi2.66 Cu Se5'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.1961
_cell_length_b                   14.42
_cell_length_c                   18.266
_cell_volume                     1105.235
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Huang_JALCEU_2001_1318.cif
_cod_data_source_block           Bi2.66Cu1Rb1Se5
_cod_original_formula_sum        'Bi2.66 Cu1 Rb1 Se5'
_cod_database_code               1526379
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-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
-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
Bi1 Bi+3 0 0.27842 0.59693 1 0.0
Bi2 Bi+3 0 0 0 0.66 0.0
Se2 Se-2 0 0.36574 0.05185 1 0.0
Rb1 Rb+1 0 0.47074 0.25 1 0.0
Se3 Se-2 0 0.78923 0.25 1 0.0
Cu1 Cu+1 0 0.205 0.25 1 0.0
Se1 Se-2 0 0.09764 0.13878 1 0.0
