#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/08/8100895.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_8100895
loop_
_publ_author_name
'Meyer, Gerd'
'Böhmer, Norbert'
_publ_section_title
;
Refinement of the crystal structure of diammonium hexafluorostannate
(IV), (NH₄)₂SnF₆
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              20
_journal_page_last               20
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '(NH4)2 Sn F6'
_chemical_formula_sum            'F6 H8 N2 Sn'
_chemical_formula_weight         268.77
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   6.0810(12)
_cell_length_b                   6.0810(12)
_cell_length_c                   4.8653(10)
_cell_measurement_temperature    293(2)
_cell_volume                     155.81(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.864
_cod_original_formula_sum        'H8 F6 N2 Sn'
_cod_database_code               8100895
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'-y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'y, x, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.0000 0.0000 0.0000 0.0184(5) Uani 1 1 a d S . .
F F 0.1545(4) 0.3091(8) 0.2228(9) 0.0398(10) Uani 1 6 i d S . .
N N 0.6667 0.3333 0.315(3) 0.030(2) Uani 1 2 d d S . .
H1 H -0.275(8) 0.450(17) 0.491(19) 0.05(3) Uiso 1 6 i d S . .
H2 H -0.3333 0.6667 0.10(6) 0.12(11) Uiso 1 2 d d S . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sn1 0.0158(5) 0.0158(5) 0.0234(6) 0.000 0.000 0.0079(2)
F 0.0429(17) 0.027(2) 0.044(2) -0.0139(19) -0.0069(9) 0.0136(10)
N 0.024(3) 0.024(3) 0.042(6) 0.000 0.000 0.0121(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 F 1.955(4) . ?
Sn1 F 1.955(4) 7 ?
Sn1 F 1.955(4) 2 ?
Sn1 F 1.955(4) 9 ?
Sn1 F 1.955(4) 8 ?
Sn1 F 1.955(4) 3 ?
N H1 1.06(9) . ?
N H2 1.0(3) . ?
