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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/56/9015661.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9015661
loop_
_publ_author_name
'Henning, P. A.'
'Adolfsson, E.'
'Grins, J.'
_publ_section_title
;
 The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              226
_journal_page_last               230
_journal_volume                  215
_journal_year                    2000
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O24 P6 S Sr10'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.8077
_cell_length_b                   9.8077
_cell_length_c                   7.2089
_cell_volume                     600.529
_database_code_amcsd             0019725
_exptl_crystal_density_diffrn    4.087
_cod_original_formula_sum        'Sr10 P6 O24 S'
_cod_database_code               9015661
_amcsd_formula_title             Sr10(PO4)6S
loop_
_space_group_symop_operation_xyz
x,y,z
y,-x+y,-z
-x+y,-x,z
-x,-y,-z
-y,x-y,z
x-y,x,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sr11 0.33333 0.66667 0.02150 0.00702
Sr12 0.33333 0.66667 0.51620 0.00702
Sr2 0.24561 0.98698 0.25788 0.00702
P 0.39820 0.36970 0.24750 0.00380
O1 0.33130 0.48230 0.26620 0.01260
O2 0.58090 0.46230 0.21110 0.01260
O31 0.30770 0.24310 0.09060 0.01260
O32 0.37650 0.28200 0.43090 0.01260
S 0.00000 0.00000 0.50000 0.01130