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#$Date: 2016-09-16 18:09:56 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/97/1529701.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_1529701
loop_
_publ_author_name
'Bucholz, N.'
'Mattes, R.'
_publ_section_title
;
 Crystal structure of the double salt (N H4)2 Si F6 (N H4) (N O3)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              755
_journal_page_last               758
_journal_volume                  23
_journal_year                    1988
_chemical_formula_sum            'F6 H12 N4 O3 Si'
_chemical_name_systematic        '(N H4)3 (Si F6) (N O3)'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.86
_cell_length_b                   5.86
_cell_length_c                   14.754
_cell_volume                     438.769
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Bucholz_MRBUAC_1988_1721.cif
_cod_data_source_block           H12F6N4O3Si1
_cod_original_cell_volume        438.7687
_cod_original_formula_sum        'H12 F6 N4 O3 Si1'
_cod_database_code               1529701
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,z
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
_atom_site_attached_hydrogens
N1 N-3 0.3333 0.6667 0.0916 1 0.0 4
O1 O-2 0.5427 1.0854 0.25 1 0.0 0
F1 F-1 0.1356 0.2712 -0.0658 1 0.0 0
N2 N-3 0 0 0.25 1 0.0 4
Si1 Si+4 0 0 0 1 0.0 0
N3 N+5 0.3333 0.6667 0.75 1 0.0 0
