Cleavable crystals, crystal structure, and magnetic properties of the NbFe1+xTe3 layered van der Waals telluride
Verchenko, Valeriy; Stepanova, Anna V.; Bogach, Alexey; Kirsanova, Maria; Shevelkov, Andrei V.; Dalton Transactions  (2023) –; doi:10.1039/D3DT00588G

data_7712660
_publ_section_title
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 Cleavable crystals, crystal structure, and magnetic properties of the
 NbFe1+xTe3 layered van der Waals telluride
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_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00588G
_journal_year                    2023
_chemical_formula_sum            'Fe1.392 Nb Te3'
_chemical_formula_weight         553.4
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_audit_creation_method           'Jana2006 Version : 25/10/2015'
_audit_update_record
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2023-02-17 deposited with the CCDC.	2023-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.8738(18)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.4010(2)
_cell_length_b                   3.65080(6)
_cell_length_c                   9.9938(3)
_cell_measurement_temperature    293
_cell_volume                     255.510(11)
_diffrn_ambient_temperature      293
_diffrn_detector                 'image plate'
_diffrn_measurement_device       'Huber G670 Guinier camera'
_diffrn_radiation_monochromator  Ge
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.5406
_diffrn_source                   x-ray
_diffrn_source_target            Cu
_exptl_absorpt_coefficient_mu    183.805
_exptl_crystal_density_diffrn    7.1936
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_F_000             466
_pd_char_colour                  black
_pd_char_particle_morphology     'particle size <= 0.02 mm'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.005
_pd_meas_2theta_range_max        100.300
_pd_meas_2theta_range_min        5.000
_pd_meas_number_of_points        19061
_pd_meas_scan_method             continuous
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        100.3
_pd_proc_2theta_range_min        5
_pd_proc_ls_background_function  '15 Chebyshev polynoms'
_pd_proc_ls_pref_orient_corr     'March & Dollase'
_pd_proc_ls_profile_function     Lorentzian
_pd_proc_ls_prof_R_factor        0.0268
_pd_proc_ls_prof_wR_expected     0.0137
_pd_proc_ls_prof_wR_factor       0.0356
_pd_spec_mounting                'sealed glass capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              10
_pd_spec_size_equat              0.4
_pd_spec_size_thick              0.4
_refine_diff_density_max         2.43
_refine_diff_density_min         -2.27
_refine_ls_goodness_of_fit_all   2.60
_refine_ls_number_constraints    2
_refine_ls_number_parameters     46
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.0346
_refine_ls_shift/su_mean         0.0096
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0652
_refine_ls_wR_factor_gt          0.0652
_cod_data_source_file            d3dt00588g1.cif
_cod_data_source_block           nbfete
_cod_depositor_comments
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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.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        255.509(12)
_cod_original_formula_sum        'Fe1.392 Nb1 Te3'
_cod_database_code               7712660