Quaternary Wurtzitic Nitrides in the System ZnGeN2‒GaN: Powder Synthesis, Characterization, and Potentiality as a Photocatalyst
Suehiro, Takayuki; Tansho, Masataka; Shimizu, Tadashi; The Journal of Physical Chemistry C 121 (2017) 27590–; doi:10.1021/acs.jpcc.7b09135

data_1548344
_publ_section_title
;
 Quaternary Wurtzitic Nitrides in the System ZnGeN2--GaN: Powder
 Synthesis, Characterization, and Potentiality as a Photocatalyst
;
_journal_issue                   49
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              27590
_journal_paper_doi               10.1021/acs.jpcc.7b09135
_journal_volume                  121
_journal_year                    2017
_chemical_formula_sum            'Ga0.3333 Ge0.3333 N Zn0.3333'
_chemical_formula_weight         83.247
_chemical_name_systematic        ' ?'
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.19186(2)
_cell_length_b                   3.19186(2)
_cell_length_c                   5.18498(4)
_cell_measurement_temperature    299(2)
_cell_volume                     45.7473(5)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_diffrn_ambient_temperature      299(2)
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.540590
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_density_diffrn    6.0434
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             75.99
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0200
_pd_meas_2theta_range_max        130.0000
_pd_meas_2theta_range_min        10.0000
_pd_meas_number_of_points        6001
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0200
_pd_proc_2theta_range_max        130.0000
_pd_proc_2theta_range_min        10.0000
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.06424
_pd_proc_ls_prof_wR_expected     0.07897
_pd_proc_ls_prof_wR_factor       0.09273
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.1743
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     12
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.01336
_refine_ls_R_Fsqd_factor         0.01207
_refine_ls_R_I_factor            0.02370
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            jp7b09135_si_001.cif
_cod_data_source_block           single_phase
_cod_depositor_comments          'Adding full bibliography for 1548344.cif.'
_cod_original_cell_volume        45.7472(6)
_cod_database_code               1548344