The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.
Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya; Dalton transactions (Cambridge, England : 2003) 45 (2016) 12559–12568; doi:10.1039/c6dt02095j

data_7039789
_publ_section_title
;
 The contrasting effect of the Ta/Nb ratio in (111)-layered B-site
 deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on
 visible-light-induced photocatalytic water oxidation activity of their
 oxynitride derivatives.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12559
_journal_page_last               12568
_journal_paper_doi               10.1039/c6dt02095j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'Ba5 Nb3 O15 Ta1'
_chemical_formula_structural     'Ba5 (Ta1 Nb3 O15)'
_chemical_formula_sum            'Ba5 Nb3 O15 Ta'
_chemical_formula_weight         1386.32
_chemical_name_systematic        'Pentabarium Tantalum Triniobium Oxide'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_audit_creation_date             1980/11/16
_audit_update_record
;
2016-04-11 deposited with the CCDC.
2016-07-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            1
_cell_length_a                   5.79575(10)
_cell_length_b                   5.79575(10)
_cell_length_c                   11.7965(2)
_cell_measurement_pressure       '1.0 atm'
_cell_measurement_reflns_used    296
_cell_measurement_temperature    298
_cell_measurement_theta_max      24.96
_cell_measurement_theta_min      3.45
_cell_volume                     343.165(10)
_computing_structure_refinement  'Fullprof suite (2015)'
_diffrn_ambient_environment      air
_diffrn_ambient_pressure         '1.0 atm'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'STOE STADI P'
_diffrn_radiation_monochromator  'Ge(111) monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'sealed X-ray tube'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    6.71
_exptl_crystal_description       plates
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.005
_exptl_crystal_size_min          0.001
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_number_of_points        4494
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        50.0
_pd_proc_2theta_range_min        5.0
_refine_ls_R_factor_all          0.025
_cod_data_source_file            c6dt02095j2.cif
_cod_data_source_block           00000000-ICSD
_cod_depositor_comments
'Adding full bibliography for 7039788--7039792.cif.'
_cod_original_cell_volume        343.16(1)
_cod_original_sg_symbol_Hall     '-P 3 2'
_cod_original_formula_sum        'Ba5 Nb3 O15 Ta1'
_cod_database_code               7039789