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_7215686
_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         ' Ca8.542 O26 P6 Sr1.458 '
_chemical_formula_structural     ' Ca8.542 Sr1.458 (P O4)6 (O H)2 '
_chemical_formula_sum            'Ca8.542 O26 P6 Sr1.458'
_chemical_formula_weight         1071.9232
_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                   9.486860(238)
_cell_length_b                   9.486860(238)
_cell_length_c                   6.941954(181)
_cell_measurement_temperature    298
_cell_volume                     541.07(2)
_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    3.2898
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.011353
_pd_meas_2theta_range_max        13.04435
_pd_meas_2theta_range_min        0.01154
_pd_meas_number_of_points        1150
_pd_proc_2theta_range_inc        0.011353
_pd_proc_2theta_range_max        13.0350
_pd_proc_2theta_range_min        0.0022
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        1.5279
_pd_proc_ls_prof_wR_expected     1.7766
_pd_proc_ls_prof_wR_factor       1.9773
_pd_proc_wavelength              0.138452
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     66
_refine_ls_number_reflns         988
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            2.0634
_refine_ls_shift/su_max          0
_cod_data_source_file            b802841a-sr15b2.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        ' Ca8.542 O26 P6 Sr1.458 '
_cod_database_code               7215686