Synthesis and characterization of three new rare-earth orthoborates: Ba<sub>2</sub>MgY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, Ba<sub>2</sub>CdY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, and Ba<sub>2</sub>CdSc(BO<sub>3</sub>)<sub>3</sub>.
Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Dalton transactions (Cambridge, England : 2003) 49 (2020) 10874–10879; doi:10.1039/d0dt01799j

data_7704953
_publ_section_title
;
 Synthesis and characterization of three new rare-earth orthoborates:
 Ba<sub>2</sub>MgY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>,
 Ba<sub>2</sub>CdY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, and
 Ba<sub>2</sub>CdSc(BO<sub>3</sub>)<sub>3</sub>.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10874
_journal_page_last               10879
_journal_paper_doi               10.1039/d0dt01799j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'B3 Ba2 Cd O9 Sc'
_chemical_formula_weight         608.47
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-04-28 deposited with the CCDC.	2020-07-08 downloaded from the CCDC.
;
_cell_angle_alpha                111.512(9)
_cell_angle_beta                 103.895(11)
_cell_angle_gamma                102.032(10)
_cell_formula_units_Z            2
_cell_length_a                   6.458(2)
_cell_length_b                   8.338(3)
_cell_length_c                   9.273(3)
_cell_measurement_reflns_used    9578
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      3.65
_cell_volume                     425.9(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_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
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0162
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15565
_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         27.538
_diffrn_reflns_theta_min         2.518
_exptl_absorpt_coefficient_mu    12.375
_exptl_crystal_colour            clourless
_exptl_crystal_density_diffrn    4.745
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_refine_diff_density_max         0.847
_refine_diff_density_min         -1.145
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1954
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0167
_refine_ls_R_factor_gt           0.0153
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0166P)^2^+0.8997P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0382
_refine_ls_wR_factor_ref         0.0388
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1869
_reflns_number_total             1954
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01799j2.cif
_cod_data_source_block           Ba2CdScB3O9
_cod_depositor_comments
'Adding full bibliography for 7704953--7704955.cif.'
_cod_database_code               7704953
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              41542
_shelx_hkl_checksum              44682