Anti-thermal Quenching Phosphors Based on the New Phosphate Host Ca3.6In3.6(PO4)6
Wang, Rongrong; Zhang, Jing; Liu, Yijia; Li, Guihua; Cai, Gemei; Dalton Transactions  (2023) –; doi:10.1039/D2DT03642H

data_7712659
_publ_section_title
;
 Anti-thermal Quenching Phosphors Based on the New Phosphate Host
 Ca3.6In3.6(PO4)6
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT03642H
_journal_year                    2023
_chemical_formula_structural     'In3.6 Ca3.6 (P O4)6'
_chemical_formula_sum            'Ca3.6 In3.6 O24 P6'
_chemical_formula_weight         1127.46
_chemical_name_common            'Calcium Indium Oxide Phosphate'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2023-02-11 deposited with the CCDC.	2023-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                110.9441(7)
_cell_angle_beta                 101.3650(8)
_cell_angle_gamma                108.2350(8)
_cell_formula_units_Z            1
_cell_length_a                   6.49535(8)
_cell_length_b                   9.21284(13)
_cell_length_c                   9.26081(12)
_cell_measurement_temperature    298
_cell_volume                     460.795(12)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_detector                 'scintillation counter'
_diffrn_measurement_device_type  'PANalytical X'Pert Pro'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'rotating-anode x-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_density_diffrn    4.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             530.4
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.016711
_pd_meas_2theta_range_max        129.99190
_pd_meas_2theta_range_min        5.00836
_pd_meas_number_of_points        7480
_pd_meas_scan_method             step
_pd_prep_temperature             1148
_pd_proc_2theta_range_inc        0.016711
_pd_proc_2theta_range_max        130.0262
_pd_proc_2theta_range_min        5.0426
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        2.6080
_pd_proc_ls_prof_wR_expected     1.6000
_pd_proc_ls_prof_wR_factor       3.5875
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     166
_refine_ls_number_reflns         3253
_refine_ls_number_restraints     17
_refine_ls_R_I_factor            4.3100
_cod_data_source_file            d2dt03642h2.cif
_cod_data_source_block           CIP335
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'YES' was changed to 'yes' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (18 times).

data item '_geom_bond_publ_flag' value 'YES' was changed to 'yes' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (39 times).

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        460.794(11)
_cod_original_formula_sum        'In3.6 Ca3.6 P6 O24'
_cod_database_code               7712659
_pd_proc_ls_prof_cr_factor       11.6961
_pd_proc_ls_prof_cwr_factor      11.3040
_pd_proc_ls_prof_cwr_expected    5.0415
_pd_proc_ls_prof_chi2            5.0275
_pd_proc_ls_prof_echi2           5.3392