The new pentaborate Na~3~SrB~5~O~10~
Wu, Li; Roth, Georg; Sparta, Karine; Chen, Xiaolong; Acta Crystallographica Section C 64 (2008) i53–i56; doi:10.1107/S0108270108016909

data_2016664
_publ_section_title
;
 The new pentaborate Na~3~SrB~5~O~10~
;
_journal_coeditor_code           FA3144
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i53
_journal_page_last               i56
_journal_paper_doi               10.1107/S0108270108016909
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'Na3 Sr B5 O10'
_chemical_formula_moiety         'B5 Sr Na3 O10'
_chemical_formula_structural     'Sr Na3 (B5 O10)'
_chemical_formula_sum            'B5 Na3 O10 Sr'
_chemical_formula_weight         370.64
_chemical_name_systematic
;
sodium strontium pentaborate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                81.28(8)
_cell_angle_beta                 70.72(7)
_cell_angle_gamma                61.68(7)
_cell_formula_units_Z            2
_cell_length_a                   7.288(7)
_cell_length_b                   7.611(8)
_cell_length_c                   9.754(9)
_cell_measurement_reflns_used    4273
_cell_measurement_temperature    293.0(10)
_cell_measurement_theta_max      36.62
_cell_measurement_theta_min      3.27
_cell_volume                     449.6(8)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2002)'
_computing_molecular_graphics
'Balls&Sticks (Version 1.42; Ozawa & Kang, 2004)'
_computing_publication_material  'WinGX (Version 1.64; Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293.0(10)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_measurement_method       'rotation method, \w'
_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  0.1687
_diffrn_reflns_av_sigmaI/netI    0.1048
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            12682
_diffrn_reflns_theta_full        28.99
_diffrn_reflns_theta_max         28.99
_diffrn_reflns_theta_min         3.40
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.186
_exptl_absorpt_correction_T_max  0.5132
_exptl_absorpt_correction_T_min  0.3374
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'via equivalents (X-SHAPE and X-RED; Stoe & Cie, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             352
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.814
_refine_diff_density_min         -0.880
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         2385
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.1017
_refine_ls_R_factor_gt           0.0590
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0043P)^2^+2.9499P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.1031
_reflns_number_gt                1720
_reflns_number_total             2385
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fa3144.cif
_cod_data_source_block           I_293K
_cod_database_code               2016664