#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/00/1100066.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_1100066
_publ_contact_author_name        'Luca Lutterotti'
_publ_section_title              'Al2O3 - ZrO2 standard'
_chemical_formula_structural     Ca10(PO4)6(OH)2
_chemical_name_common            hydroxylapatite
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   P63/m
_audit_creation_date             'Mon Oct 12 15:11:53 PDT 1998'
_audit_creation_method           'Maud, version 1.995'
_audit_update_record             'Last update Wed Aug 13 02:41:30 CEST 2003'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.048(1)
_cell_length_b                   9.047673
_cell_length_c                   6.704(1)
_computing_structure_refinement  'Maud, version 1.995'
_refine_ls_goodness_of_fit_all   0.7174458
_refine_ls_R_factor_all          0.69605094
_refine_ls_wR_factor_all         0.5057757
_cod_database_code               1100066
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
Ca1 Ca2+ 1.0 0.66666 0.33333 0.25000 0
Ca2 Ca2+ 1.0 0.966(4) 0.241(2) 0.25000 0
P1 P 1.0 0.397(3) 0.453(4) 0.25000 0
O1 O2- 1.0 0.455(5) 0.347(5) 0.2500 0
O2 O2- 1.0 0.455(5) 0.526(6) 0.2500 0
O3 O2- 1.0 0.282(3) 0.303(3) 0.031(2) 0
O4 O2- 1 0.0000 0.0000 0.361(2) 0
