Interplay of two magnetic sublattices in related compounds Sm<sub>2</sub>Mn<sub>1-<i>x</i></sub>Ga<sub>6-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>x</i> = 0.1-0.3, <i>y</i> = 0.6-1.0) and Sm<sub>4</sub>MnGa<sub>12-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>y</i> = 3.0-3.5) with different ordering of empty and filled (Ga,Ge)<sub>6</sub> octahedra.
Kulchu, Aleksandr; Khalaniya, Roman A.; Mironov, Andrei V.; Bogach, Alexey V.; Aksenov, Sergey M.; Lyssenko, Konstantin A.; Shevelkov, Andrei V.; Dalton transactions (Cambridge, England : 2003) 53 (2024) 1506–1516; doi:10.1039/d3dt03505k

data_7714694
_publ_section_title
;
 Interplay of two magnetic sublattices in related compounds
 Sm<sub>2</sub>Mn<sub>1-<i>x</i></sub>Ga<sub>6-<i>y</i></sub>Ge<sub><i>y</i></sub>
 (<i>x</i> = 0.1-0.3, <i>y</i> = 0.6-1.0) and
 Sm<sub>4</sub>MnGa<sub>12-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>y</i> =
 3.0-3.5) with different ordering of empty and filled (Ga,Ge)<sub>6</sub>
 octahedra.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1506
_journal_page_last               1516
_journal_paper_doi               10.1039/d3dt03505k
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'Sm4 Mn Ga8.6 Ge3.4'
_chemical_formula_sum            'Ga8.6 Ge3.4 Mn Sm4'
_chemical_formula_weight         1502.8
_chemical_name_systematic        Sm4MnGa8.6Ge3.4
_space_group_IT_number           229
_space_group_name_Hall           '-I 4 2 3'
_space_group_name_H-M_alt        'I m -3 m'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_audit_creation_method           'Jana2006 Version : 15/02/2021'
_audit_update_record
;
2023-12-07 deposited with the CCDC.	2023-12-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.6283(8)
_cell_length_b                   8.6283(8)
_cell_length_c                   8.6283(8)
_cell_measurement_reflns_used    1212
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.29
_cell_measurement_theta_min      4.73
_cell_volume                     642.36(10)
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       'Bruker CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1149
_diffrn_reflns_av_unetI/netI     0.066
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1758
_diffrn_reflns_theta_full        30.52
_diffrn_reflns_theta_max         30.52
_diffrn_reflns_theta_min         3.34
_exptl_absorpt_coefficient_mu    44.359
_exptl_absorpt_correction_T_max  0.0325
_exptl_absorpt_correction_T_min  0.0041
_exptl_absorpt_correction_type   multi-scan,gausian
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    7.7696
_exptl_crystal_description       'rectangular cuboid'
_exptl_crystal_F_000             1297
_exptl_crystal_recrystallization_method 'From the Melt'
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.14
_refine_diff_density_min         -0.85
_refine_ls_extinction_coef       280(40)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.03
_refine_ls_goodness_of_fit_ref   1.00
_refine_ls_number_constraints    0
_refine_ls_number_parameters     15
_refine_ls_number_reflns         124
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.0055
_refine_ls_shift/su_mean         0.0032
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.000081F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0302
_refine_ls_wR_factor_ref         0.0328
_reflns_number_gt                102
_reflns_number_total             124
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            d3dt03505k1.cif
_cod_data_source_block           Sm4MnGa86Ge34T100K
_cod_depositor_comments
;
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 

 Adding full bibliography for 7714691--7714694.cif.
;
_cod_original_sg_symbol_Hall     '-I 4;2;3'
_cod_original_formula_sum        'Ga8.6 Ge3.4 Mn1 Sm4'
_cod_database_code               7714694