Isomorphous Substitutions of Rare Earth Elements for Calcium in Synthetic Hydroxyapatites
Lyudmyla I. Ardanova; Evgeni I. Get'man; Stanislav N. Loboda; Vadim V. Prisedsky; Tatiana V. Tkachenko; Valeriy I. Marchenko; Valeriy P. Antonovich; Nataliya A. Chivireva; Konstantin A. Chebishev; Alexandra S. Lyashenko; Inorganic Chemistry 49 (2010) 10687–10693; doi:10.1021/ic1015127

data_4317044
_publ_contact_author_address
; Department of Chemistry and Geology, 
  Minnesota State University, Mankato, 
  241 Ford Hall, Mankato 56001, USA
;
_publ_contact_author_email       lyudmyla.ardanova@mnsu.edu
_publ_contact_author_fax         507-389-5625
_publ_contact_author_name        'Ardanova Lyudmyla'
_publ_contact_author_phone       507-389-1999
_publ_section_title
;
 Isomorphous Substitutions of Rare Earth Elements for Calcium in Synthetic
 Hydroxyapatites
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10687
_journal_page_last               10693
_journal_paper_doi               10.1021/ic1015127
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Ca9.6 H1.6 O26 P6 Tm0.4'
_chemical_formula_weight         1055.82
_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                   9.40558(19)
_cell_length_b                   9.40558(19)
_cell_length_c                   6.86410(15)
_cell_measurement_temperature    296
_cell_volume                     525.878(19)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      296
_diffrn_detector                 'scintillation type'
_diffrn_measurement_device_type  'Powder diffractometer DRON-2'
_diffrn_measurement_method       'profile data from \q/2\q scans'
_diffrn_radiation_monochromator  No
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_density_diffrn    3.333
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.050000
_pd_meas_2theta_range_max        140.00000
_pd_meas_2theta_range_min        15.00000
_pd_meas_number_of_points        2501
_pd_meas_scan_method             step
_pd_prep_temperature             1373
_pd_proc_2theta_range_inc        0.050000
_pd_proc_2theta_range_max        140.0000
_pd_proc_2theta_range_min        15.0000
_pd_proc_ls_background_function  '5th order background polynomial function'
_pd_proc_ls_profile_function     'pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        5.8912
_pd_proc_ls_prof_wR_expected     5.6100
_pd_proc_ls_prof_wR_factor       7.7592
_pd_proc_wavelength              1.54180
_refine_ls_goodness_of_fit_all   1.3831
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     36
_refine_ls_number_reflns         772
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.9917
_cod_data_source_file            ic1015127_si_001_2.cif
_cod_data_source_block           1#Ca9.6Tm0.4(PO4)6(OH)1.6O0.4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        525.879(19)
_cod_database_code               4317044