#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/43/9014313.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_9014313
loop_
_publ_author_name
'Hendricks, S.'
'Jefferson, M.'
'Mosley, V.'
_publ_section_title
;
 The Crystal Structures of Some Natural and Synthetic Apatite-Like
 Substances
 _cod_database_code 1011242
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              352
_journal_page_last               369
_journal_volume                  81
_journal_year                    1932
_chemical_formula_sum            'Ca5 O13 P3'
_chemical_name_mineral           Hydroxylapatite
_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_length_a                   9.40
_cell_length_b                   9.40
_cell_length_c                   6.93
_cell_formula_units_Z            2
_cell_volume                     530.297
_database_code_amcsd             0018108
_exptl_crystal_density_diffrn    3.139
_cod_duplicate_entry             1011242
_cod_original_formula_sum        'Ca5 P3 O13'
_cod_database_code               9014313
loop_
_space_group_symop_operation_xyz
x,y,z
-x+y,-x,1/2-z
x-y,x,1/2+z
y,-x+y,-z
-y,x-y,z
x,y,1/2-z
-x,-y,1/2+z
x-y,x,-z
-x+y,-x,z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1 0.33333 0.66667 0.00000
Ca2 0.25000 0.00000 0.25000
P1 0.41700 0.36100 0.25000
O1 0.33333 0.50000 0.25000
O2 0.60000 0.46700 0.25000
O3 0.33333 0.25000 0.06300
O4 0.00000 0.00000 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018108
