#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/98/1509808.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_1509808
loop_
_publ_author_name
'Glowyak, T.'
'Sysa, L.V.'
'Krykhovets, O.V.'
'Olekseyuk, I.D.'
_publ_section_title
;
 Crystal structure of Ag2 In2 Ge Se6
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              181
_journal_page_last               184
_journal_paper_doi               10.1016/S0925-8388(99)00016-X
_journal_volume                  287
_journal_year                    1999
_chemical_formula_sum            'Ag2 Ge In2 Se6'
_chemical_name_systematic        'Ag2 In2 Ge Se6'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.692
_cell_length_b                   7.492
_cell_length_c                   12.644
_cell_volume                     1133.336
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            silver2-3_78.cif
_cod_data_source_block           Ag2Ge1In2Se6
_cod_original_cell_volume        1133.337
_cod_original_formula_sum        'Ag2 Ge1 In2 Se6'
_cod_database_code               1509808
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,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
Se3 Se-2 0.085 0.0089 0.0628 1 0.0
Ag2 Ag+1 0.5936 0.2053 0.4167 1 0.0
In2 In+3 0.2308 0.0632 0.2625 1 0.0
In1 In+3 0.4114 0.092 0.0641 1 0.0
Se4 Se-2 0.0875 0.2661 0.3123 1 0.0
Ag1 Ag+1 0.3909 0.589 0.257 1 0.0
Ge1 Ge+4 0.1634 0.7645 0.0053 1 0.0
Se5 Se-2 0.2834 0.23 0.877 1 0.0
Se6 Se-2 0.6163 0.0136 0.0898 1 0.0
Se2 Se-2 0.4 0.2361 0.2464 1 0.0
Se1 Se-2 0.3556 0.7535 0.051 1 0.0
