How to induce red persistent luminescence in biocompatible Ca3(PO4)2
Aurelie Bessiere; Aurelie Lecointre; Rajia Ait Benhamou; Emmanuelle Suard; Gilles Wallez; Bruno Viana; Journal of Materials Chemistry C 1 (2013) 1252–1259; doi:10.1039/C2TC00138A

data_7233142
_publ_section_title
;
 How to induce red persistent luminescence in biocompatible Ca3(PO4)2
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1252
_journal_page_last               1259
_journal_paper_doi               10.1039/C2TC00138A
_journal_volume                  1
_journal_year                    2013
_chemical_formula_moiety         'Ca9.615 Mn0.885 P7 O28'
_chemical_formula_structural     Ca9.615Mn0.885(PO4)7
_chemical_formula_sum            'Ca28.85 Mn2.66 O84 P21'
_chemical_formula_weight         3296.34
_chemical_name_common            'Tricalcium Phosphate:Mn'
_chemical_name_systematic
; 
Tricalcium Phosphate:Mn
;
_space_group_IT_number           161
_space_group_name_Hall           'R 3 -2"c'
_space_group_name_H-M_alt        'R 3 c :H'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            2
_cell_length_a                   10.3883(1)
_cell_length_b                   10.3883(1)
_cell_length_c                   37.2221(6)
_cell_measurement_temperature    293
_cell_volume                     3478.73(7)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.59438
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_theta_max         79.975
_diffrn_reflns_theta_min         0.00
_diffrn_source                   'nuclear reactor'
_exptl_crystal_density_diffrn    3.147
_pd_char_colour                  'pale grey'
_pd_char_particle_morphology     powder
_pd_instr_location               ' 'ILL Grenoble''
_pd_meas_2theta_range_inc        0.050016
_pd_meas_2theta_range_max        159.95000
_pd_meas_2theta_range_min        0.00000
_pd_meas_number_of_points        3200
_pd_prep_temperature             293
_pd_proc_2theta_range_inc        0.050016
_pd_proc_2theta_range_max        160.0384
_pd_proc_2theta_range_min        0.0884
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        2.8432
_pd_proc_ls_prof_wR_expected     2.0459
_pd_proc_ls_prof_wR_factor       3.5846
_pd_proc_wavelength              1.594384
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   3.11
_refine_ls_number_parameters     75
_refine_ls_number_reflns         782
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            2.9806
_reflns_number_observed          766
_reflns_number_total             766
_cod_data_source_file            J-Mat-Chem-C-2013-1-1252.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Hexagonal' was changed to
'hexagonal' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3478.7(1)
_cod_original_sg_symbol_H-M      'R 3 C'
_cod_database_code               7233142
_pd_proc_ls_prof_cr_factor       7.3607
_pd_proc_ls_prof_cwr_factor      8.0720
_pd_proc_ls_prof_cwr_expected    4.6069
_pd_proc_ls_prof_chi2            3.0700
_pd_proc_ls_prof_echi2           3.0700