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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/43/4344307.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_4344307
loop_
_publ_author_name
'Jordan, T.H.'
'Schroeder, L.W.'
'Dickens, B.'
'Brown, W.E.'
_publ_section_title
;
 Crystal Structure of Stannous Hydroxide Phosphate, a Reaction Product of
 Stannous Fluoride and Apatite
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1810
_journal_page_last               1814
_journal_volume                  15
_journal_year                    1976
_chemical_formula_sum            'H O5 P Sn2'
_chemical_name_systematic        'Sn2 (O H) P O4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.96
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.176
_cell_length_b                   7.051
_cell_length_c                   10.453
_cell_volume                     513.279
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Jordan_INOCAJ_1976_1956.cif
_cod_data_source_block           H1O5P1Sn2
_cod_original_cell_volume        513.2792
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H1 O5 P1 Sn2'
_cod_database_code               4344307
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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
P1 P+5 0.0514 0.1098 0.2954 1 0.0
O2 O-2 0.3005 0.495 0.2567 1 0.0
O4 O-2 0.5925 0.4706 0.1678 1 0.0
Sn2 Sn+2 0.25131 0.00344 0.04892 1 0.0
O5 O-2 0.5358 0.0812 0.1501 1 0.0
Sn1 Sn+2 0.87501 0.5255 0.13901 1 0.0
O1 O-2 0.1499 0.2225 0.4176 1 0.0
O3 O-2 0.9433 0.2436 0.1871 1 0.0
