#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/99/1509985.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_1509985
loop_
_publ_author_name
'Huang, F.Q.'
'Ibers, J.A.'
_publ_section_title
;
 Syntheses, structures and physical properties of the new
 quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu
 Se4, Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2
 Gd4 Cu4 S9
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              299
_journal_page_last               306
_journal_paper_doi               10.1006/jssc.2001.9110
_journal_volume                  158
_journal_year                    2001
_chemical_formula_sum            'Ag3 Cs Gd2 Se5'
_chemical_name_systematic        'Cs Gd2 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                   4.2943
_cell_length_b                   15.424
_cell_length_c                   17.501
_cell_volume                     1159.184
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            silver3-x_29.cif
_cod_data_source_block           Ag3Cs1Gd2Se5
_cod_original_formula_sum        'Ag3 Cs1 Gd2 Se5'
_cod_database_code               1509985
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
Cs1 Cs+1 0 0.4381 0.25 1 0.0
Gd1 Gd+3 0 0.30746 0.59525 1 0.0
Ag2 Ag+1 0 0.08265 0.54101 1 0.0
Ag1 Ag+1 0 0.15584 0.25 1 0.0
Se2 Se-2 0 0.75264 0.25 1 0.0
Se3 Se-2 0 0.31952 0.07026 1 0.0
Se1 Se-2 0 0.06742 0.11654 1 0.0
