Yb<sub>5</sub>Rh<sub>6</sub>Sn<sub>18</sub>: a valence fluctuating system with ultra-low thermal conductivity.
Bolielyi, Oleksandr; Levytskyi, Volodymyr; Wagler, Jörg; Kvashnina, Kristina O.; Kundys, Bohdan; Leithe-Jasper, Andreas; Gumeniuk, Roman; Dalton transactions (Cambridge, England : 2003) 54 (2025) 784–796; doi:10.1039/d4dt02759k

data_7717563
_publ_section_title
;
 Yb<sub>5</sub>Rh<sub>6</sub>Sn<sub>18</sub>: a valence fluctuating system
 with ultra-low thermal conductivity.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              784
_journal_page_last               796
_journal_paper_doi               10.1039/d4dt02759k
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'Rh6 Sn18 Yb5'
_chemical_formula_sum            'Rh6 Sn18 Yb5'
_chemical_formula_weight         3619.08
_space_group_crystal_system      tetragonal
_space_group_IT_number           137
_space_group_name_Hall           '-P 4ac 2a'
_space_group_name_H-M_alt        'P 42/n m c :2'
_atom_sites_solution_primary     ShelXT
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-09-13 deposited with the CCDC.	2024-11-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.7018(5)
_cell_length_b                   9.7018(5)
_cell_length_c                   13.7933(10)
_cell_measurement_reflns_used    9396
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      30.26
_cell_measurement_theta_min      3.32
_cell_volume                     1298.29(13)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    ShelXT
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0268
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14544
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.981
_diffrn_reflns_theta_min         2.954
_exptl_absorpt_coefficient_mu    38.423
_exptl_absorpt_correction_T_max  0.0403
_exptl_absorpt_correction_T_min  0.0165
_exptl_absorpt_correction_type   cylinder
_exptl_absorpt_process_details
;
Interpolation using  Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3
for values of muR in the range 0-2.5, and Int.Tab. Vol.II (1959)
p.302; Table 5.3.6 B for muR in the range 2.6-10.0.
The interpolation procedure of C.W.Dwiggins Jr (Acta Cryst.(1975)
A31,146-148) is used with some modification.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    9.258
_exptl_crystal_description       piece
_exptl_crystal_F_000             3040
_exptl_crystal_recrystallization_method 'From the Melt'
_exptl_crystal_size_max          0.030
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.010
_exptl_crystal_size_rad          0.0750
_refine_diff_density_max         2.039
_refine_diff_density_min         -2.994
_refine_diff_density_rms         0.494
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     45
_refine_ls_number_reflns         14544
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0757P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1084
_refine_ls_wR_factor_ref         0.1164
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11550
_reflns_number_total             14544
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt02759k2.cif
_cod_data_source_block           VL_YbRhSn_2_03_cylindrical
_cod_depositor_comments          'Adding full bibliography for 7717563.cif.'
_cod_original_cell_volume        1298.29(16)
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_database_code               7717563
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.392
_shelx_estimated_absorpt_t_max   0.700
_exptl_absorpt_correction_t_ave  0.0305
_shelx_res_checksum              29093
_shelx_hkl_checksum              28807