#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/11/1511127.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_1511127
loop_
_publ_author_name
'Bergerhoff, G.'
'Boenisch, J.'
_publ_section_title
;
 Strukturen im System Sn F2 - B F3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              35
_journal_page_last               41
_journal_paper_doi               10.1002/zaac.19814730204
_journal_volume                  473
_journal_year                    1981
_chemical_formula_sum            'B F9 Sn3'
_chemical_name_systematic        'Sn3 F5 B F4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.29
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.772
_cell_length_b                   7.638
_cell_length_c                   10.328
_cell_volume                     840.873
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_229.cif
_cod_data_source_block           B1F9Sn3
_cod_original_formula_sum        'B1 F9 Sn3'
_cod_database_code               1511127
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
F1 F-1 0.0377 0.6165 0.4064 1 0.0
B1 B+3 0.4012 0.5673 0.3021 1 0.0
F8 F-1 0.3749 0.7226 0.3623 1 0.0
F6 F-1 0.3423 0.4386 0.3485 1 0.0
Sn3 Sn+2 0.31939 0.09952 0.443 1 0.0
F3 F-1 0.1776 0.1279 0.2787 1 0.0
F2 F-1 0.0678 0.7657 0.1725 1 0.0
F4 F-1 0.1802 0.8978 0.4755 1 0.0
Sn1 Sn+2 0.059 0.33902 0.18699 1 0.0
F5 F-1 0.1953 0.2516 0.0306 1 0.0
Sn2 Sn+2 0.20025 0.86639 0.05961 1 0.0
F7 F-1 0.3733 0.5926 0.1757 1 0.0
F9 F-1 0.4651 0.0545 0.1762 1 0.0
