#------------------------------------------------------------------------------
#$Date: 2015-09-29 08:58:35 +0300 (Tue, 29 Sep 2015) $
#$Revision: 158986 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532967.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_1532967
loop_
_publ_author_name
'Naddari, T.'
'Hamdi, B.'
'Savariault, J.M.'
'Ben Salah, A.'
'El Feki, H.'
_publ_section_title
;
 Substitution mechanism of alkali metals for strontium in strontium
 hydroxyapatite
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              221
_journal_page_last               230
_journal_volume                  38
_journal_year                    2003
_chemical_formula_sum            'H1.31 Na0.3 O25.31 P6 Sr9.5'
_chemical_name_systematic        'Sr9.5 Na0.3 (P O4)6 (O H)1.31'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.751
_cell_length_b                   9.751
_cell_length_c                   7.279
_cell_volume                     599.378
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Naddari_MRBUAC_2003_541.cif
_cod_data_source_block           H1.31Na0.3O25.31P6Sr9.5
_cod_original_cell_volume        599.3779
_cod_database_code               1532967
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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 0.3949 0.3679 0.25 1 0.0
O3 O-2 0.3422 0.2581 0.0821 1 0.0
Na1 Na+1 0.3333 0.6667 -0.0019 0.075 0.0
O2 O-2 0.5784 0.4664 0.25 1 0.0
O4 O-2 0 0 0.1928 0.3275 0.0
Sr1 Sr+2 0.3333 0.6667 -0.0019 0.915 0.0
O1 O-2 0.3309 0.4801 0.25 1 0.0
Sr2 Sr+2 0.2418 0.9834 0.25 0.973 0.0
