#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001233.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_9001233
_chemical_name 'Hydroxylapatite'
loop_
_publ_author_name
'Hughes J M'
'Cameron M'
'Crowley K D'
_journal_name_full "American Mineralogist"
_journal_volume 74
_journal_year 1989
_journal_page_first 870
_journal_page_last 876
_publ_section_title
;
 Structural variations in natural F, OH, and Cl apatites
 Locality: Holly Springs, Georgia, USA
;
_chemical_formula_sum 'Ca5 P3 O13 H'
_cell_length_a 9.4166
_cell_length_b 9.4166
_cell_length_c 6.8745
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 527.910
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_symmetry_equiv_pos_as_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
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Ca1   0.66667   0.33333   0.00144   1.00000 ?
Ca2  -0.00657   0.24706   0.25000   1.00000 ?
P   0.36860   0.39866   0.25000   1.00000 ?
O1   0.48500   0.32890   0.25000   1.00000 ?
O2   0.46490   0.58710   0.25000   1.00000 ?
O3   0.25800   0.34350   0.07030   1.00000 ?
O(H)   0.00000   0.00000   0.19790   0.50000 ?
H   0.00000   0.00000   0.04000   0.50000   0.04179