#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/52/1535209.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_1535209
loop_
_publ_author_name
'Berndt, A. F.'
_publ_section_title
;
 Reaction of stannous fluoride with hydroxyapatite: The crystal structure
 of Sn~3PO~4~F~3~
;
_journal_issue                   1
_journal_name_full               'Journal of Dental Research'
_journal_page_first              53
_journal_page_last               57
_journal_paper_doi               10.1177/00220345720510012801
_journal_volume                  51
_journal_year                    1972
_chemical_formula_sum            'F3 O4 P Sn3'
_chemical_name_systematic        'Sn3 (P O4) F3'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   11.87
_cell_length_b                   11.87
_cell_length_c                   4.69
_cell_volume                     572.275
_citation_journal_id_ASTM        JDREAF
_cod_data_source_file            Berndt_JDREAF_1972_216.cif
_cod_data_source_block           F3O4P1Sn3
_cod_original_cell_volume        572.2752
_cod_original_formula_sum        'F3 O4 P1 Sn3'
_cod_database_code               1535209
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
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
Sn1 Sn+2 0.1213 0.2388 0.512 1 0.0
O2 O-2 0.069 0.136 0.114 1 0.0
F1 F-1 0.138 0.401 0.225 1 0.0
O1 O-2 0 0 0.648 1 0.0
P1 P+5 0 0 0 1 0.0
