Structure and magnetic properties of high-entropy honeycomb-layered A<sub>3</sub>Q<sub>2</sub>SbO<sub>6</sub> (A = Li or Na; Q = Co<sub>1/5</sub>Ni<sub>1/5</sub>Cu<sub>1/5</sub>Mg<sub>1/5</sub>Zn<sub>1/5</sub>).
Nalbandyan, Vladimir B.; Shukaev, Igor L.; Popov, Yuri V.; Vasiliev, Alexander N.; Vasilchikova, Tatyana M.; Dalton transactions (Cambridge, England : 2003) 54 (2025) 13738–13746; doi:10.1039/d5dt01771h

data_1575504
_publ_section_title
;
 Structure and magnetic properties of high-entropy honeycomb-layered
 A<sub>3</sub>Q<sub>2</sub>SbO<sub>6</sub> (A = Li or Na; Q =
 Co<sub>1/5</sub>Ni<sub>1/5</sub>Cu<sub>1/5</sub>Mg<sub>1/5</sub>Zn<sub>1/5</sub>).
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13738
_journal_page_last               13746
_journal_paper_doi               10.1039/d5dt01771h
_journal_volume                  54
_journal_year                    2025
_chemical_formula_structural     'Li3 Mg0.4 Co0.4 Ni0.4 Cu0.4 Zn0.4 Sb O6'
_chemical_formula_sum            'Co0.4 Cu0.4 Li3 Mg0.4 Ni0.4 O6 Sb Zn0.4'
_chemical_formula_weight         346.91
_chemical_name_systematic
; 
lithium magnesium cobalt nickel copper zinc antimony(+5) oxide
;
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_date             2024-08-01T17:19
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
;
2024-10-10 deposited with the CCDC.	2025-08-15 downloaded from the CCDC.
;
_cell_angle_alpha                90.0
_cell_angle_beta                 111.6722(15)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.27212(12)
_cell_length_b                   8.91503(18)
_cell_length_c                   5.24207(11)
_cell_measurement_temperature    298
_cell_volume                     228.967(9)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_radiation_polarisn_ratio 0.695
_diffrn_radiation_probe          x-ray
_exptl_absorpt_correction_T_max  0.97245
_exptl_absorpt_correction_T_min  0.77621
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 3
 Surface roughness abs. correction (Suortti)
Terms =     0.65807        0.48870    
Correction is refined.
;
_exptl_crystal_density_diffrn    5.032
_pd_block_id                     2024-08-01T17:19|LI3Q2SBO6_ILS_VAR_59|ILS|ARL
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  black
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        100.02
_pd_meas_2theta_range_min        12.0
_pd_meas_number_of_points        4402
_pd_meas_scan_method             cont
_pd_phase_name
'from E:/SHUKAEV/SCIENTIA/Struct_Analysis/A3M2SbO6/NaLi_MgCoNiCuZn_'
_pd_prep_cool_rate               400
_pd_prep_pressure                100
_pd_prep_temperature             1273
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        100.02
_pd_proc_2theta_range_min        12.0
_pd_proc_info_datetime           2024-08-01T17:19:31
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 14 terms.
 Shifted Chebyshev function of 1st kind
      1:    454.735     2:   -111.073     3:    30.9285     4:    18.1252    
      5:   -30.8788     6:    26.7823     7:   -20.1537     8:    11.0763    
      9:   -2.18958    10:   -6.07607    11:    10.6737    12:   -9.73008    
     13:    5.78198    14:   0.169618    
;
_pd_proc_ls_peak_cutoff          0.00040
_pd_proc_ls_profile_function
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =    8.208 #2(GV)   =   18.104 #3(GW)   =    6.645
 #4(GP)   =    0.000 #5(LX)   =    6.579 #6(LY)   =   11.677
 #7(S/L)  =   0.0132 #8(H/L)  =   0.0050
 #9(trns) =    -3.90 #10(shft)=  -0.6202
 #11(stec)=    16.97 #12(ptec)=    -2.32 #13(sfec)=     0.00
 #14(L11) =   -0.309 #15(L22) =   -0.070 #16(L33) =   -0.709
 #17(L12) =    0.004 #18(L13) =   -0.366 #19(L23) =    0.097
 Peak tails are ignored  where the intensity is below 0.0004 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0403
_pd_proc_ls_prof_wR_expected     0.0427
_pd_proc_ls_prof_wR_factor       0.0504
_pd_proc_number_of_points        4402
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.19
_refine_ls_matrix_type           full
_refine_ls_number_parameters     56
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.05884
_refine_ls_shift/su_max          0.07
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        1.012
_reflns_d_resolution_low         4.872
_reflns_limit_h_max              5
_reflns_limit_h_min              0
_reflns_limit_k_max              9
_reflns_limit_k_min              0
_reflns_limit_l_max              5
_reflns_limit_l_min              -5
_reflns_number_total             258
_publcif_datablock.id            {d106ea72-9ffe-4b9c-b76c-ae41a2a4fb7c}
_cod_data_source_file            d5dt01771h2.cif
_cod_data_source_block           LI3Q2SBO6_ILS_VAR_59_publ
_cod_depositor_comments
'Adding full bibliography for 1575503--1575504.cif.'
_cod_original_cell_volume        228.966(8)
_cod_original_sg_symbol_Hall     '_C 2y'
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum
'Co0.40 Cu0.40 Li3.00 Mg0.40 Ni0.40 O6 Sb Zn0.40'
_cod_database_code               1575504
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000
_publcif_funding_html
;
;