#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/96/1509635.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_1509635
loop_
_publ_author_name
'Brown, I.D.'
'Greedan, J.E.'
'Garrett, J.D.'
'Carbotte, S.'
'Faggiani, R.'
_publ_section_title
;
 Single-Crystal Growth and Structure Determination of Ag16 I12 P2 O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              183
_journal_page_last               190
_journal_paper_doi               10.1016/0022-4596(82)90266-3
_journal_volume                  42
_journal_year                    1982
_chemical_formula_sum            'Ag16 I12 O7 P2'
_chemical_name_systematic        'Ag16 I12 P2 O7'
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.054
_cell_length_b                   12.054
_cell_length_c                   7.504
_cell_volume                     944.247
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            silver1-2_654.cif
_cod_data_source_block           Ag16I12O7P2
_cod_original_cell_volume        944.2475
_cod_database_code               1509635
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z+1/2
x-y,-y,-z+1/2
x,x-y,-z+1/2
y,x,-z+1/2
-x+y,y,-z+1/2
-x,-x+y,-z+1/2
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z-1/2
-x+y,y,z-1/2
-x,-x+y,z-1/2
-y,-x,z-1/2
x-y,-y,z-1/2
x,x-y,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
O2 O-2 0.1 0.05 0.35 0.083 0.0
Ag3 Ag+1 0.2488 0.947 0.1754 0.29 0.0
Ag2 Ag+1 0.0947 0.4747 0.1605 0.12 0.0
P1 P+5 0 0 0.2018 0.5 0.0
Ag4 Ag+1 0.0489 0.2467 0 0.26 0.0
O1 O-2 0.05 0.02 0 0.083 0.0
O3 O-2 -0.08 -0.15 0.2 0.083 0.0
I1 I-1 0.45 0.1479 0 1 0.0
O4 O-2 -0.1 0.04 0.2 0.083 0.0
Ag1 Ag+1 0.5 0 0.25 0.52 0.0
