#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/15/8101512.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_8101512
loop_
_publ_author_name
'Chang, Jen-Hui'
'Köhler, Jürgen'
_publ_section_title
;
Crystal structure of tin(II)dioxodecafluorostannate(IV), Sn₄O₂F₁₀
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              147
_journal_page_last               148
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'F5 O Sn2'
_chemical_formula_weight         348.38
_chemical_name_common            Tin(II)dioxodecafluorostannate(IV)
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 116.52(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.160(5)
_cell_length_b                   6.643(4)
_cell_length_c                   8.339(6)
_cell_measurement_temperature    293(2)
_cell_volume                     454.0(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.097
_refine_ls_R_factor_obs          0.0203
_refine_ls_wR_factor_obs         0.0467
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               8101512
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+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_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.02825(3) 0.0000 0.32547(4) 0.00727(9) Uani 1 d S . .
Sn2 Sn 0.5000 0.0000 0.5000 0.00641(10) Uani 1 d S . .
Sn3 Sn 0.5000 0.0000 0.0000 0.01274(11) Uani 1 d S . .
F1 F 0.2775(3) 0.0000 0.4994(4) 0.0135(5) Uani 1 d S . .
F2 F 0.3966(4) 0.0000 0.2411(4) 0.0163(6) Uani 1 d S . .
F3 F 0.0854(3) 0.2083(3) 0.2018(3) 0.0197(4) Uani 1 d . . .
F4 F 0.8007(4) 0.0000 0.1504(5) 0.0237(7) Uani 1 d S . .
O1 O 0.5000 0.6944(5) 0.5000 0.0097(5) Uani 1 d S . .
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 F3 1.932(2) 6 ?
Sn1 F3 1.932(2) . ?
Sn1 F4 1.939(3) 1_455 ?
Sn1 O1 2.047(2) 3_445 ?
Sn1 O1 2.047(2) 7_556 ?
Sn1 F1 2.088(3) . ?
Sn1 Sn1 3.176(2) 5_556 ?
Sn2 F2 1.932(3) 5_656 ?
Sn2 F2 1.932(3) . ?
Sn2 O1 2.030(3) 5_666 ?
Sn2 O1 2.030(3) 1_545 ?
Sn2 F1 2.036(3) . ?
Sn2 F1 2.036(3) 5_656 ?
Sn3 F3 2.454(2) 4_545 ?
Sn3 F3 2.454(2) 8 ?
Sn3 F3 2.454(2) 3_545 ?
Sn3 F3 2.454(2) 7 ?
Sn3 F4 2.465(4) . ?
Sn3 F4 2.465(4) 5_655 ?
F3 Sn3 2.454(2) 3_455 ?
F4 Sn1 1.939(3) 1_655 ?
O1 Sn2 2.030(3) 1_565 ?
O1 Sn1 2.047(2) 3 ?
O1 Sn1 2.047(2) 7_556 ?
