Synthesis, crystal structure and thermal behavior of Sr3B2SiO8 borosilicate
Krzhizhanovskaya, M.G.; Bubnova, R.S.; Krivovichev, S.V.; Belousova, O.L.; Filatov, S.K.; Journal of Solid State Chemistry 183 (2010) 2352–2357; doi:10.1016/j.jssc.2010.07.029

data_1563501
_publ_section_title
;
 Synthesis, crystal structure and thermal behavior of Sr3B2SiO8
 borosilicate
;
_journal_issue                   10
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2352
_journal_page_last               2357
_journal_paper_doi               10.1016/j.jssc.2010.07.029
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'B0.67 O2.66 Si0.33 Sr'
_chemical_formula_weight         146.74
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.361(4)
_cell_length_b                   3.9269(9)
_cell_length_c                   5.4194(11)
_cell_measurement_temperature    293(2)
_cell_volume                     263.06(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0864
_diffrn_reflns_av_sigmaI/netI    0.0452
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            2046
_diffrn_reflns_theta_full        29.13
_diffrn_reflns_theta_max         29.13
_diffrn_reflns_theta_min         3.30
_exptl_absorpt_coefficient_mu    20.367
_exptl_crystal_density_diffrn    3.705
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             269
_refine_diff_density_max         1.137
_refine_diff_density_min         -1.907
_refine_diff_density_rms         0.240
_refine_ls_extinction_coef       0.014(7)
_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   1.179
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     27
_refine_ls_number_reflns         400
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.179
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0638
_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^)+(0.0155P)^2^+5.4117P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1293
_refine_ls_wR_factor_ref         0.1332
_reflns_number_gt                369
_reflns_number_total             400
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-2352.cif
_cod_data_source_block           new
_cod_original_cell_volume        263.05(11)
_cod_database_code               1563501