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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/66/2106656.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106656
loop_
_publ_author_name
'Berndt, A.F.'
_publ_section_title
;
 The crystal structure of Sn P O3 F
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              529
_journal_page_last               530
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'F O3 P Sn'
_chemical_name_systematic        'Sn P O3 F'
_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                 99.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.621
_cell_length_b                   12.644
_cell_length_c                   6.194
_cell_volume                     357.146
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Berndt_ACBCAR_1974_1998.cif
_cod_data_source_block           F1O3P1Sn1
_cod_original_cell_volume        357.1456
_cod_original_formula_sum        'F1 O3 P1 Sn1'
_cod_database_code               2106656
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
O2 O-2 0.205 0.27 0.202 1 0.0
Sn1 Sn+2 0.034 0.6299 0.2803 1 0.0
F1 F-1 0.461 0.431 0.159 1 0.0
O3 O-2 0.665 0.306 0.45 1 0.0
O1 O-2 0.25 0.412 0.484 1 0.0
P1 P+5 0.38 0.3517 0.336 1 0.0
