LiCs<sub>2</sub>La(BO<sub>3</sub>)<sub>2</sub> and Li<sub>3</sub>K<sub>9</sub>La<sub>3</sub>(BO<sub>3</sub>)<sub>7</sub>: new mixed alkali metal lanthanum borates with three-dimensional open frameworks and short cut-off edges.
Ma, Ruru; Yang, Yun; Hu, Cong; Dong, Xiaoyu; Yang, Zhihua; Pan, Shilie; Dalton transactions (Cambridge, England : 2003) 47 (2018) 3512–3520; doi:10.1039/c7dt04830k

data_7045446
_publ_section_title
;
 LiCs<sub>2</sub>La(BO<sub>3</sub>)<sub>2</sub> and
 Li<sub>3</sub>K<sub>9</sub>La<sub>3</sub>(BO<sub>3</sub>)<sub>7</sub>:
 new mixed alkali metal lanthanum borates with three-dimensional open
 frameworks and short cut-off edges.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3512
_journal_page_last               3520
_journal_paper_doi               10.1039/c7dt04830k
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'B2 Cs2 La Li O6'
_chemical_formula_weight         529.29
_space_group_IT_number           57
_space_group_name_Hall           '-P 2c 2b'
_space_group_name_H-M_alt        'P b c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-10-15 deposited with the CCDC.
2018-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.292(3)
_cell_length_b                   10.039(3)
_cell_length_c                   10.396(4)
_cell_measurement_reflns_used    940
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.66
_cell_measurement_theta_min      2.79
_cell_volume                     761.0(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4376
_diffrn_reflns_theta_full        27.66
_diffrn_reflns_theta_max         27.66
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    15.017
_exptl_absorpt_correction_T_max  0.9759
_exptl_absorpt_correction_T_min  0.9526
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.125
_exptl_crystal_size_mid          0.113
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.702
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       0.0048(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_matrix_type           full
_refine_ls_number_parameters     66
_refine_ls_number_reflns         940
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0183
_refine_ls_R_factor_gt           0.0164
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0167P)^2^+0.5658P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0376
_refine_ls_wR_factor_ref         0.0383
_reflns_number_gt                892
_reflns_number_total             940
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7dt04830k2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7045446--7045447.cif.'
_cod_original_sg_symbol_H-M      Pbcm
_cod_original_formula_sum        B2Cs2LaLiO6
_cod_database_code               7045446