The structure of strontium-doped hydroxyapatite: an experimental and theoretical study.
Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta; Physical chemistry chemical physics : PCCP 11 (2009) 568–577; doi:10.1039/b802841a

data_7215684
_publ_section_title
;
 The structure of strontium-doped hydroxyapatite: an experimental and
 theoretical study.
;
_journal_issue                   3
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              568
_journal_page_last               577
_journal_paper_doi               10.1039/b802841a
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         ' Ca9.921 O26 P6 Sr0.079 '
_chemical_formula_structural     ' Ca9.921 Sr0.079 (P O4)6 (O H)2 '
_chemical_formula_sum            'Ca9.921 O26 P6 Sr0.079'
_chemical_formula_weight         1006.3628
_chemical_name_systematic        ' ?'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            1
_cell_length_a                   9.434668(279)
_cell_length_b                   9.434669(279)
_cell_length_c                   6.889300(210)
_cell_measurement_temperature    298
_cell_volume                     531.08(3)
_computing_structure_refinement  FULLPROF
_diffrn_detector                 ' area detector'
_diffrn_detector_type            ' MAR345 '
_diffrn_measurement_device_type  'Goniometer in transmission geometry'
_diffrn_radiation_type           ' synchrotron '
_diffrn_radiation_wavelength     0.13845
_diffrn_source                   'Synchrotron, ID15B, ESRF'
_exptl_crystal_colour            ' white '
_exptl_crystal_density_diffrn    3.1467
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.011339
_pd_meas_2theta_range_max        13.02913
_pd_meas_2theta_range_min        0.01153
_pd_meas_number_of_points        1150
_pd_proc_2theta_range_inc        0.011339
_pd_proc_2theta_range_max        13.0204
_pd_proc_2theta_range_min        0.0028
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        1.4858
_pd_proc_ls_prof_wR_expected     2.0815
_pd_proc_ls_prof_wR_factor       1.9522
_pd_proc_wavelength              0.138452
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     65
_refine_ls_number_reflns         961
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            2.1246
_refine_ls_shift/su_max          0
_cod_data_source_file            b802841a-sr1b2.cif
_cod_data_source_block           HASr
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P 63/M'
_cod_original_formula_sum        ' Ca9.921 O26 P6 Sr0.079 '
_cod_database_code               7215684