Influence of anionic substitutions on the nonlinear-optical and luminescent properties of Ca 9.75 Eu 0.5 (VO 4 ) 7
Titkov, Vladimir V.; Latipov, Egor; Baryshnikova, Oksana V.; Fedyunin, Fedor D.; Deyneko, Dina V.; Lazoryak, Bogdan; Dalton Transactions  (2026) –; doi:10.1039/D5DT02750K

data_7720633
_publ_section_title
;
 Influence of anionic substitutions on the nonlinear optical and
 luminescent properties of
 Ca<sub>9.75</sub>Eu<sub>0.5</sub>(VO<sub>4</sub>)<sub>7</sub>.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5689
_journal_page_last               5699
_journal_paper_doi               10.1039/d5dt02750k
_journal_volume                  55
_journal_year                    2026
_chemical_formula_analytical     Ca9.764Eu0.457V6.9S0.1O28
_chemical_formula_iupac          Ca9.764Eu0.457V6.9S0.1O28
_chemical_formula_moiety         'Ca9.764 Eu0.457 O28 S0.1 V6.9'
_chemical_formula_structural     Ca9.764Eu0.457V6.9S0.1O28
_chemical_formula_sum            'Ca9.764 Eu0.457 O28 S0.1 V6.9'
_chemical_formula_weight         1263.5
_chemical_name_common            Ca9.764Eu0.457V6.9S0.1O28
_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           trigonal
_symmetry_Int_Tables_number      161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_audit_update_record
;
2026-02-16 deposited with the CCDC.	2026-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.84630(11)
_cell_length_b                   10.84630(11)
_cell_length_c                   38.0675(4)
_cell_measurement_temperature    293
_cell_volume                     3878.36(7)
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'RIGAKU Ultima III'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_source                   'X-ray tube'
_diffrn_source_type              'X-Ray Generator'
_exptl_absorpt_coefficient_mu    45.988
_exptl_crystal_density_diffrn    3.2457
_exptl_crystal_F_000             3650
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        99.995
_pd_meas_2theta_range_min        7.000
_pd_meas_number_of_points        4546
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        99.995
_pd_proc_2theta_range_min        7
_pd_proc_ls_background_function  '36 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0199
_pd_proc_ls_prof_wR_expected     0.0144
_pd_proc_ls_prof_wR_factor       0.0284
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.93
_refine_ls_goodness_of_fit_all   1.97
_refine_ls_number_constraints    1
_refine_ls_number_parameters     86
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.0398
_refine_ls_shift/su_mean         0.0044
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0498
_refine_ls_wR_factor_gt          0.0494
_cod_data_source_file            d5dt02750k2.cif
_cod_data_source_block           I_CCDC3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' 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 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7720630--7720635.cif.
;
_cod_original_sg_symbol_Hall     'R 3;-2"c'
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               7720633