High-pressure synthesis and crystal structures of molybdenum nitride Mo<sub>3</sub>N<sub>5</sub> with anisotropic compressibility by a nitrogen dimer.
Sasaki, Takuya; Yamamoto, Takuro; Asano, Shuto; Niwa, Ken; Hasegawa, Masashi; Dalton transactions (Cambridge, England : 2003) 52 (2023) 469–475; doi:10.1039/d2dt03433f

data_7711975
_publ_section_title
;
 High-pressure synthesis and crystal structures of molybdenum nitride
 Mo<sub>3</sub>N<sub>5</sub> with anisotropic compressibility by a
 nitrogen dimer.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              469
_journal_page_last               475
_journal_paper_doi               10.1039/d2dt03433f
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'Mo3 N5'
_chemical_formula_sum            'Mo3 N5'
_chemical_formula_weight         357.914
_chemical_name_common            Mo3N5
_chemical_name_systematic        'molybdenum nitride'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_audit_creation_date             2022-04-12
_audit_creation_method
' from .lst and *.dst using lst2cif (Dilanian and Izumi, 2011)'
_audit_update_record
;
2022-10-17 deposited with the CCDC.	2022-12-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   2.86201(2)
_cell_length_b                   7.07401(6)
_cell_length_c                   14.5969(1)
_cell_measurement_temperature    298
_cell_volume                     295.527(4)
_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      298
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'ADSC Quantum 315r'
_diffrn_measurement_device_type  'AichiSR BL2S1'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.749770
_diffrn_source                   'Synchrotron radiation'
_diffrn_source_type              'AichiSR BL2S1'
_exptl_crystal_colour            balck
_exptl_crystal_density_diffrn    8.0443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             644.00
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0100
_pd_meas_2theta_range_max        56.0000
_pd_meas_2theta_range_min        4.0000
_pd_meas_number_of_points        5201
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        56.0000
_pd_proc_2theta_range_min        4.0000
_pd_proc_ls_background_function  'composite background function'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.00275
_pd_proc_ls_prof_wR_expected     0.04865
_pd_proc_ls_prof_wR_factor       0.00423
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.0870
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     53
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.00416
_refine_ls_R_Fsqd_factor         0.00421
_refine_ls_R_I_factor            0.01074
_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            d2dt03433f2.cif
_cod_data_source_block           global
_cod_depositor_comments          'Adding full bibliography for 7711975.cif.'
_cod_database_code               7711975