#------------------------------------------------------------------------------
#$Date: 2016-02-19 15:29:56 +0100 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/22/2002207.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_2002207
loop_
_publ_author_name
'Keller, H L'
'Mueller-Buschbaum, Hk'
_publ_section_title              'Zur Kenntnis von Ag6 S O4 Si O4'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              205
_journal_page_last               208
_journal_paper_doi               10.1002/zaac.19744080214
_journal_volume                  408
_journal_year                    1974
_chemical_formula_structural     'Ag6 (S O4) (Si O4)'
_chemical_formula_sum            'Ag6 O8 S Si'
_chemical_name_systematic        'Hexasilver sulfate(VI) silicate'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.06
_cell_length_b                   7.06
_cell_length_c                   17.65999
_cell_volume                     880.2
_refine_ls_R_factor_all          0.03
_cod_original_sg_symbol_H-M      'I 41/a m d Z'
_cod_database_code               2002207
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
1/4+y,1/4+x,3/4+z
1/4+y,1/4-x,3/4+z
-x,y,z
-x,1/2-y,z
3/4-y,1/4+x,3/4+z
3/4-y,1/4-x,3/4+z
-x,-y,-z
-x,1/2+y,-z
3/4-y,3/4-x,1/4-z
3/4-y,3/4+x,1/4-z
x,-y,-z
x,1/2+y,-z
1/4+y,3/4-x,1/4-z
1/4+y,3/4+x,1/4-z
1/2+x,1/2+y,1/2+z
1/2+x,-y,1/2+z
3/4+y,3/4+x,1/4+z
3/4+y,3/4-x,1/4+z
1/2-x,1/2+y,1/2+z
1/2-x,-y,1/2+z
1/4-y,3/4+x,1/4+z
1/4-y,3/4-x,1/4+z
1/2-x,1/2-y,1/2-z
1/2-x,y,1/2-z
1/4-y,1/4-x,3/4-z
1/4-y,1/4+x,3/4-z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
3/4+y,1/4-x,3/4-z
3/4+y,1/4+x,3/4-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ag1 Ag1+ 16 f 0.293 0. 0. 1. 0 d
Ag2 Ag1+ 8 e 0. 0.25 0.128 1. 0 d
S1 S6+ 4 a 0. 0.25 0.875 1. 0 d
Si1 Si4+ 4 b 0. 0.25 0.375 1. 0 d
O1 O2- 16 h 0. 0.059 0.322 1. 0 d
O2 O2- 16 h 0. 0.081 0.923 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ag1+ 1.000
S6+ 6.000
Si4+ 4.000
O2- -2.000
