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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/00/1510037.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_1510037
loop_
_publ_author_name
'Huang Fuqiang'
'Ibers, J.A.'
_publ_section_title
;
 Syntheses and structures of the new quaternary rubidium selenides Rb Ln2
 Cu Se4 (Ln = Sm, Gd, Dy), Rb1.5 Ln2 Cu2.5 Se5 (Ln = Gd, Dy),and Rb Sm2
 Ag3 Se5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1006/jssc.2000.8661
_journal_volume                  151
_journal_year                    2000
_chemical_formula_sum            'Ag3 Rb Se5 Sm2'
_chemical_name_systematic        'Rb Sm2 Ag3 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                   4.3223
_cell_length_b                   15.229
_cell_length_c                   17.42
_cell_volume                     1146.659
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            silver3-x_80.cif
_cod_data_source_block           Ag3Rb1Se5Sm2
_cod_original_formula_sum        'Ag3 Rb1 Se5 Sm2'
_cod_database_code               1510037
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
Se2 Se-2 0 0.7581 0.25 1 0.0
Ag1 Ag+1 0 0.16055 0.25 1 0.0
Se3 Se-2 0 0.3214 0.07123 1 0.0
Sm1 Sm+3 0 0.30862 0.59556 1 0.0
Ag2 Ag+1 0 0.08441 0.53813 1 0.0
Rb1 Rb+1 0 0.43702 0.25 1 0.0
Se1 Se-2 0 0.0646 0.1199 1 0.0
