Ba<sub>3</sub>BiPbREO(BO<sub>3</sub>)<sub>4</sub> (RE = Pr, Nd, Gd, and Dy): two-dimensional rare-earth antiferromagnets with a geometrically-perfect triangular lattice directed by a triangular BO<sub>3</sub> unit.
Lv, Yun; Wang, Yanhong; Shi, Nian; Huang, Keke; Tang, Jinkui; Lu, Hongcheng; Dalton transactions (Cambridge, England : 2003) 55 (2026) 3786–3794; doi:10.1039/d5dt03066h

data_7720056
_publ_section_title
;
 Ba<sub>3</sub>BiPbREO(BO<sub>3</sub>)<sub>4</sub> (RE = Pr, Nd, Gd, and
 Dy): two-dimensional rare-earth antiferromagnets with a
 geometrically-perfect triangular lattice directed by a triangular
 BO<sub>3</sub> unit.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3786
_journal_page_last               3794
_journal_paper_doi               10.1039/d5dt03066h
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'B4 Ba3 Bi1 Pr1 O13 Pb1'
_chemical_formula_sum            'B4 Ba3 Bi O13 Pb Pr'
_chemical_formula_weight         1220.34
_space_group_crystal_system      hexagonal
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2025-06-20 deposited with the CCDC.	2026-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.3940(12)
_cell_length_b                   5.3940(12)
_cell_length_c                   26.940(7)
_cell_measurement_reflns_used    332
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.1930
_cell_measurement_theta_min      4.3160
_cell_volume                     678.8(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0749
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -3
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            1879
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.968
_diffrn_reflns_theta_max         24.968
_diffrn_reflns_theta_min         3.025
_exptl_absorpt_coefficient_mu    37.418
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    5.970
_exptl_crystal_description       lamellar
_exptl_crystal_F_000             1032
_refine_diff_density_max         1.718
_refine_diff_density_min         -2.250
_refine_diff_density_rms         0.360
_refine_ls_extinction_coef       0.0015(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     33
_refine_ls_number_reflns         279
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0524
_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^)+(0.0349P)^2^+43.1356P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1175
_reflns_Friedel_coverage         0.000
_reflns_number_gt                179
_reflns_number_total             279
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt03066h2.cif
_cod_data_source_block           Ba3BiPbPrB4O13
_cod_depositor_comments
'Adding full bibliography for 7720053--7720056.cif.'
_cod_original_formula_sum        'B4 Ba3 Bi Pr O13 Pb'
_cod_database_code               7720056
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              95488