High pressure synthesis and the valence state of vanadium ions for the novel transition metal pernitride, CuAl2-type VN2
Asano, Shuto; Niwa, Ken; Sasaki, Takuya; Gaida, Nico Alexander; Hasegawa, Masashi; Dalton Transactions  (2022) –; doi:10.1039/D1DT04310B

data_7709408
_publ_section_title
;
 High pressure synthesis and the valence state of vanadium ions for the
 novel transition metal pernitride, CuAl2-type VN2
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT04310B
_journal_year                    2022
_chemical_formula_moiety         'N2 V'
_chemical_formula_sum            'N2 V'
_chemical_formula_weight         78.955
_chemical_name_common            VN2
_space_group_crystal_system      tetragonal
_space_group_IT_number           140
_space_group_name_Hall           '-I 4 2c'
_space_group_name_H-M_alt        'I 4/m c m'
_audit_update_record
;
2021-12-19 deposited with the CCDC.	2022-01-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.3015(1)
_cell_length_b                   4.3015(1)
_cell_length_c                   4.9827(2)
_cell_measurement_temperature    297
_cell_volume                     92.194(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      297
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            ADSC
_diffrn_measurement_device_type  'AichiSR BL2S1'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.749570
_diffrn_source                   'Synchrotron radiation'
_diffrn_source_type              'AichiSR BL2S1'
_exptl_crystal_density_diffrn    5.6883
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'indefinite shape'
_exptl_crystal_F_000             148.00
_pd_block_id                     2021-09-16_phase_1
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0100
_pd_meas_2theta_range_max        52.9900
_pd_meas_2theta_range_min        1.0000
_pd_meas_number_of_points        5200
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        52.9900
_pd_proc_2theta_range_min        13.2100
_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        0.00855
_pd_proc_ls_prof_wR_expected     0.03392
_pd_proc_ls_prof_wR_factor       0.01211
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   irregular
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.3570
_refine_ls_matrix_type           full
_refine_ls_number_constraints    1
_refine_ls_number_parameters     53
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.00315
_refine_ls_R_Fsqd_factor         0.00161
_refine_ls_R_I_factor            0.00561
_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            d1dt04310b2.cif
_cod_data_source_block           phase_1
_cod_original_cell_volume        92.195(5)
_cod_database_code               7709408