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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/81/1518101.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_1518101
loop_
_publ_author_name
'Soufiane, A.'
'Vilminot, S.'
_publ_section_title
;
 Sur un fluorure mixte d'etain II et IV : (NH4)3Sn3F11
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              799
_journal_page_last               808
_journal_volume                  22
_journal_year                    1985
_chemical_formula_sum            'F11 H12 N3 Sn3'
_chemical_formula_weight         619.23
_space_group_IT_number           35
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      35
_symmetry_space_group_name_Hall  'C 2 -2'
_symmetry_space_group_name_H-M   'C m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.773(3)
_cell_length_b                   25.564(6)
_cell_length_c                   8.052(1)
_cell_volume                     2629.2(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.768
_exptl_crystal_density_diffrn    3.128
_exptl_crystal_density_meas      3.11
_refine_ls_number_reflns         1619
_refine_ls_R_factor_gt           0.042
_cod_data_source_file            RCM-1985-22-799-808.cif
_cod_data_source_block           '[NH4]3Sn3F11'
_cod_original_formula_sum        'H12 F11 N3 Sn3'
_cod_database_code               1518101
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 -x,y,z
4 x,-y,z
5 1/2+x,1/2+y,z
6 1/2-x,1/2-y,z
7 1/2-x,1/2+y,z
8 1/2+x,1/2-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sn1 Sn Uiso 0.24430(10) 0.07930(10) 0.20000 1.000 0.0127
Sn2 Sn Uiso 0.00000 0.17270(10) 0.3685(2) 1.000 0.0127
Sn3 Sn Uiso 0.00000 0.33220(10) 0.4099(3) 1.000 0.0127
Sn4 Sn Uiso 0.25000 0.25000 0.0834(2) 1.000 0.0127
Sn6 Sn Uiso 0.00000 0.50000 0.4956(3) 1.000 0.0127
F1 F Uiso 0.220(2) 0.00000 0.124(3) 1.000 0.0127
F2 F Uiso 0.3550(10) 0.0819(7) 0.030(2) 1.000 0.0127
F3 F Uiso 0.142(2) 0.0910(8) 0.018(2) 1.000 0.0127
F4 F Uiso 0.00000 0.2495(7) 0.462(3) 1.000 0.0127
F5 F Uiso 0.390(2) 0.3400(8) 0.554(3) 1.000 0.0127
F6 F Uiso 0.391(2) 0.1665(8) 0.604(2) 1.000 0.0127
F7 F Uiso 0.131(4) 0.245(2) 0.967(5) 1.000 0.0127
F8 F Uiso 0.138(3) 0.236(3) 0.240(6) 1.000 0.0127
F9 F Uiso 0.218(4) 0.3220(10) 0.146(8) 1.000 0.0127
F13 F Uiso 0.6050(10) 0.00000 0.3220(10) 1.000 0.0127
F14 F Uiso 0.3910(10) 0.00000 0.6740(10) 1.000 0.0127
F15 F Uiso 0.00000 0.4240(6) 0.513(4) 1.000 0.0127
Sn5 Sn Uiso 0.00000 0.00000 0.5189(3) 1.000 0.0127
F10 F Uiso 0.00000 0.0526(5) 0.3410(10) 1.000 0.0127
F11 F Uiso 0.00000 0.0540(4) 0.6860(10) 1.000 0.0127
F12 F Uiso 0.1531(8) 0.00000 0.518(2) 1.000 0.0127
N1 N Uiso 0.00000 0.50000 0.009(8) 1.000 0.0127
N2 N Uiso 0.00000 0.00000 0.023(6) 1.000 0.0127
N3 N Uiso 0.25000 0.25000 0.594(3) 1.000 0.0127
N4 N Uiso 0.244(3) 0.077(2) 0.691(5) 1.000 0.0127
N5 N Uiso 0.00000 0.1609(7) 0.885(2) 1.000 0.0127
N6 N Uiso 0.00000 0.3400(7) 0.916(3) 1.000 0.0127
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
F F 0.0171 0.0103 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F1 Sn1 F2 86.4(8) . . yes
F1 Sn1 F3 80.6(9) . . yes
F1 Sn1 F9 153.7(15) . 6_555 yes
F2 Sn1 F3 87.4(8) . . yes
F2 Sn1 F9 73.7(14) . 6_555 yes
F3 Sn1 F9 81.5(14) . 6_555 yes
F4 Sn2 F8 64.1(15) . . yes
F4 Sn2 F8 64.1(15) . 3_555 yes
F4 Sn2 F5 83.6(7) . 6_555 yes
F4 Sn2 F5 83.6(7) . 8_455 yes
F8 Sn2 F8 85.1(17) . 3_555 yes
F5 Sn2 F8 85.7(12) 6_555 . yes
F5 Sn2 F8 147.2(15) 8_455 . yes
F5 Sn2 F8 147.2(15) 6_555 3_555 yes
F5 Sn2 F8 85.7(12) 8_455 3_555 yes
F5 Sn2 F5 85.2(10) 6_555 8_455 yes
F4 Sn3 F15 149.3(10) . . yes
F4 Sn3 F6 82.6(7) . 6_555 yes
F4 Sn3 F6 82.6(7) . 8_455 yes
F6 Sn3 F15 74.7(8) 6_555 . yes
F6 Sn3 F15 74.7(8) 8_455 . yes
F6 Sn3 F6 83.4(9) 6_555 8_455 yes
F8 Sn4 F9 82(3) . . yes
F7 Sn4 F8 72.6(19) 1_554 . yes
F7 Sn4 F8 168(2) 6_554 . yes
F8 Sn4 F8 98.9(19) . 6_555 yes
F8 Sn4 F9 79(3) . 6_555 yes
F7 Sn4 F9 91(2) 1_554 . yes
F7 Sn4 F9 104(2) 6_554 . yes
F8 Sn4 F9 79(3) 6_555 . yes
F9 Sn4 F9 150(3) . 6_555 yes
F7 Sn4 F7 117(2) 1_554 6_554 yes
F7 Sn4 F8 168(2) 1_554 6_555 yes
F7 Sn4 F9 104(2) 1_554 6_555 yes
F7 Sn4 F8 72.6(19) 6_554 6_555 yes
F7 Sn4 F9 91(2) 6_554 6_555 yes
F8 Sn4 F9 82(3) 6_555 6_555 yes
F15 Sn6 F15 171.8(13) . 2_565 yes
F13 Sn6 F15 93.0(7) 5_455 . yes
F14 Sn6 F15 87.0(7) 5_455 . yes
F13 Sn6 F15 93.0(7) 6_555 . yes
F14 Sn6 F15 87.0(7) 6_555 . yes
F13 Sn6 F15 93.0(7) 5_455 2_565 yes
F14 Sn6 F15 87.0(7) 5_455 2_565 yes
F13 Sn6 F15 93.0(7) 6_555 2_565 yes
F14 Sn6 F15 87.0(7) 6_555 2_565 yes
F13 Sn6 F14 179.7(5) 5_455 5_455 yes
F13 Sn6 F13 87.6(5) 5_455 6_555 yes
F13 Sn6 F14 92.1(4) 5_455 6_555 yes
F13 Sn6 F14 92.1(4) 6_555 5_455 yes
F14 Sn6 F14 88.2(4) 5_455 6_555 yes
F13 Sn6 F14 179.7(5) 6_555 6_555 yes
F11 Sn5 F12 90.2(3) 2_555 . yes
F12 Sn5 F12 179.6(7) . 2_555 yes
F10 Sn5 F11 91.1(4) 2_555 2_555 yes
F10 Sn5 F12 89.9(3) 2_555 2_555 yes
F11 Sn5 F12 90.2(3) 2_555 2_555 yes
F10 Sn5 F11 91.1(4) . . yes
F10 Sn5 F12 89.9(3) . . yes
F10 Sn5 F10 86.4(5) . 2_555 yes
F10 Sn5 F11 177.5(4) . 2_555 yes
F10 Sn5 F12 89.9(3) . 2_555 yes
F11 Sn5 F12 90.2(3) . . yes
F10 Sn5 F11 177.5(4) 2_555 . yes
F11 Sn5 F11 91.5(4) . 2_555 yes
F11 Sn5 F12 90.2(3) . 2_555 yes
F10 Sn5 F12 89.9(3) 2_555 . yes
Sn1 F1 Sn1 142.6(12) . 4_555 yes
Sn2 F4 Sn3 147.8(12) . . yes
Sn2 F8 Sn4 151(4) . . yes
Sn1 F9 Sn4 157(3) 6_555 . yes
Sn3 F15 Sn6 156.4(16) . . yes
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 F1 2.140(8) . yes
Sn1 F2 1.969(15) . yes
Sn1 F3 1.99(2) . yes
Sn1 F9 2.61(3) 6_555 yes
Sn2 F4 2.103(19) . yes
Sn2 F8 2.61(6) . yes
Sn2 F8 2.61(6) 3_555 yes
Sn2 F5 2.08(2) 6_555 yes
Sn2 F5 2.08(2) 8_455 yes
Sn3 F4 2.155(18) . yes
Sn3 F15 2.489(18) . yes
Sn3 F6 2.09(2) 6_555 yes
Sn3 F6 2.09(2) 8_455 yes
Sn4 F8 1.94(4) . yes
Sn4 F9 1.95(3) . yes
Sn4 F7 1.79(5) 1_554 yes
Sn4 F7 1.79(5) 6_554 yes
Sn4 F8 1.94(5) 6_555 yes
Sn4 F9 1.95(3) 6_555 yes
Sn6 F15 1.948(16) . yes
Sn6 F15 1.948(16) 2_565 yes
Sn6 F13 1.937(11) 5_455 yes
Sn6 F14 2.001(11) 5_455 yes
Sn6 F13 1.937(11) 6_555 yes
Sn6 F14 2.001(11) 6_555 yes
Sn5 F10 1.965(11) . yes
Sn5 F11 1.928(9) . yes
Sn5 F12 1.956(10) . yes
Sn5 F10 1.965(11) 2_555 yes
Sn5 F11 1.928(9) 2_555 yes
Sn5 F12 1.956(10) 2_555 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
F2 Sn1 F1 Sn1 107(2) . . 4_555 no
F3 Sn1 F1 Sn1 -165(2) . . 4_555 no
F1 Sn1 F9 Sn4 79(8) . 6_555 . no
F2 Sn1 F9 Sn4 121(8) . 6_555 . no
F3 Sn1 F9 Sn4 31(7) . 6_555 . no
F8 Sn2 F4 Sn3 48.8(12) . . . no
F4 Sn2 F8 Sn4 -178(5) . . . no
F8 Sn2 F8 Sn4 -114(5) 3_555 . . no
F5 Sn2 F8 Sn4 97(5) 6_555 . . no
F5 Sn2 F8 Sn4 172(3) 8_455 . . no
F15 Sn3 F4 Sn2 180.00(1) . . . no
F4 Sn3 F15 Sn6 -180.00(1) . . . no
F9 Sn4 F8 Sn2 166(5) . . . no
F7 Sn4 F8 Sn2 71(4) 1_554 . . no
F8 Sn4 F8 Sn2 -117(5) 6_555 . . no
F9 Sn4 F8 Sn2 -38(5) 6_555 . . no
F8 Sn4 F9 Sn1 151(8) . . 6_555 no
F8 Sn4 F9 Sn1 50(7) . 6_555 . no
F9 Sn4 F9 Sn1 101(8) . 6_555 . no