Li<sub>2</sub>CeRbB<sub>18</sub>O<sub>30</sub> and Li<sub>2</sub>Cs<sub>2</sub>SrB<sub>18</sub>O<sub>30</sub>: promising low-birefringence materials for UV and deep UV zero-order waveplates.
Wang, Xiaoming; Zhang, Zhiyuan; Lu, Juanjuan; Zhang, Feng; Pan, Shilie; Dalton transactions (Cambridge, England : 2003) 54 (2025) 14969–14975; doi:10.1039/d5dt01706h

data_7719480
_publ_section_title
;
 Li<sub>2</sub>CeRbB<sub>18</sub>O<sub>30</sub> and
 Li<sub>2</sub>Cs<sub>2</sub>SrB<sub>18</sub>O<sub>30</sub>: promising
 low-birefringence materials for UV and deep UV zero-order waveplates.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14969
_journal_page_last               14975
_journal_paper_doi               10.1039/d5dt01706h
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'B18 Ce1 Li2 O30 Rb1'
_chemical_formula_sum            'B18 Ce Li2 O30 Rb'
_chemical_formula_weight         914.05
_chemical_name_systematic        1
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_audit_creation_date             2024-05-18
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;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-09-21 deposited with the CCDC.	2025-09-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   11.2212(6)
_cell_length_b                   11.2212(6)
_cell_length_c                   15.5998(7)
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_cell_measurement_temperature    273.15
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.47
_cell_volume                     1701.09(15)
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      273.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0769
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_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11928
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.505
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_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
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_exptl_absorpt_coefficient_mu    4.285
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6112
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.677
_exptl_crystal_description       block
_exptl_crystal_F_000             1293
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.500
_refine_diff_density_min         -0.440
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       0.0002(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.198
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     81
_refine_ls_number_reflns         871
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.198
_refine_ls_R_factor_all          0.0185
_refine_ls_R_factor_gt           0.0180
_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^)+(0.0083P)^2^+5.1259P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0455
_refine_ls_wR_factor_ref         0.0456
_reflns_Friedel_coverage         0.000
_reflns_number_gt                855
_reflns_number_total             871
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01706h2.cif
_cod_data_source_block           lirbcebo
_cod_depositor_comments
'Adding full bibliography for 7719480--7719481.cif.'
_cod_original_cell_volume        1701.1(2)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7719480
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.566
_shelx_estimated_absorpt_t_min   0.529
_olex2_refinement_description
;
;
_shelx_res_checksum              42198
_olex2_submission_original_sample_id 1
_olex2_submission_special_instructions 'No special instructions were received'