Itinerant ferromagnet Re4−xMnxGe7−δ (x = 0.9–1.5, δ = 0.42–0.44) with incommensurate chimney-ladder structure stabilised at ambient pressure
Khalaniya, Roman A.; Verchenko, Valeriy; Bogach, Alexey; Likhanov, Maxim; Shevelkov, Andrei V.; Dalton Transactions  (2023) –; doi:10.1039/D3DT01919E

data_7713485
_publ_section_title
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 Itinerant ferromagnet Re4&#x2212;xMnxGe7&#x2212;\d (x = 0.9--1.5, \d =
 0.42--0.44) with incommensurate chimney-ladder structure stabilised at
 ambient pressure
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_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT01919E
_journal_year                    2023
_chemical_formula_moiety         'Re3.09 Mn0.91 Ge6.574'
_chemical_formula_sum            'Ge6.574 Mn0.91 Re3.09'
_chemical_formula_weight         1102.2
_chemical_name_systematic        Re3.1Mn0.9Ge6.57
_space_group_IT_number           141
_space_group_name_Hall           'I 4bw 2bw -1bw'
_space_group_name_H-M_alt        'I 41/a m d :1'
_space_group_ssg_name            I41/amd(00\g)00ss
_symmetry_cell_setting           tetragonal
_audit_creation_method           'Jana2006 Version : 15/02/2021'
_audit_update_record
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2023-06-20 deposited with the CCDC.	2023-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.86034(2)
_cell_length_b                   5.86034(2)
_cell_length_c                   4.70446(2)
_cell_measurement_temperature    293
_cell_modulation_dimension       1
_cell_subsystems_number          2
_cell_volume                     161.5680(10)
_diffrn_ambient_temperature      293
_diffrn_detector                 'Si (111) crystal multianalyzer'
_diffrn_detector_type            EIGER
_diffrn_measurement_device_type  ID22
_diffrn_radiation_monochromator  'Si (111) monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.35425
_diffrn_source                   Synchrotron
_exptl_absorpt_coefficient_mu    13.877
_exptl_crystal_density_diffrn    11.3279
_exptl_crystal_F_000             248
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0015
_pd_meas_2theta_range_max        39.999
_pd_meas_2theta_range_min        2.001
_pd_meas_number_of_points        25333
_pd_proc_2theta_range_inc        0.0015
_pd_proc_2theta_range_max        39.999
_pd_proc_2theta_range_min        2.001
_pd_proc_ls_background_function  '15 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0444
_pd_proc_ls_prof_wR_expected     0.0181
_pd_proc_ls_prof_wR_factor       0.0587
_refine_ls_goodness_of_fit_all   3.24
_refine_ls_number_constraints    6
_refine_ls_number_parameters     32
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.0491
_refine_ls_shift/su_mean         0.0131
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0423
_refine_ls_wR_factor_gt          0.0422
_cod_data_source_file            d3dt01919e2.cif
_cod_data_source_block           Re3p1Mn0p9Ge6p57
_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.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
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_cod_original_cell_volume        161.5683(11)
_cod_database_code               7713485