#------------------------------------------------------------------------------
#$Date: 2016-12-12 00:03:57 +0100 (lun 12 de dic de 2016) $
#$Revision: 189055 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/46/4124652.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_4124652
loop_
_publ_author_name
'Hoard, J.L.'
'Williams, M.B.'
_publ_section_title
;
 Structures of Complex Fluorides. Ammonium Hexafluosilicate-Ammonium
 Fluoride, (N H4)2 Si F6 (N H4) F
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              633
_journal_page_last               637
_journal_volume                  64
_journal_year                    1942
_chemical_formula_sum            'F7 H12 N3 Si'
_chemical_name_systematic        '(N H4)3 Si F6 F'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.04
_cell_length_b                   8.04
_cell_length_c                   5.845
_cell_volume                     377.830
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Hoard_JACSAT_1942_1471.cif
_cod_data_source_block           H12F7N3Si1
_cod_original_cell_volume        377.8301
_cod_original_formula_sum        'H12 F7 N3 Si1'
_cod_database_code               4124652
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,-y+1/2,-z
y+1/2,x+1/2,-z
-x+1/2,y+1/2,-z
-y+1/2,-x+1/2,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x-1/2,y-1/2,z
-y-1/2,-x-1/2,z
x-1/2,-y-1/2,z
y-1/2,x-1/2,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
F1 F-1 0.349 0.849 0 1 0.0 0
F3 F-1 0 0 0.5 1 0.0 0
N2 N-3 0 0 0 1 0.0 4
F2 F-1 0.106 0.606 0.207 1 0.0 0
N1 N-3 0.315 0.815 0.5 1 0.0 4
Si1 Si+4 0 0.5 0 1 0.0 0
