Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions
Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav; Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71 (2015) 489–497; doi:10.1107/S2052520615011713

data_2310769
_publ_section_title
;
 Incommensurate modulation and thermal expansion of
 Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions
;
_journal_coden_ASTM              ACSBDA
_journal_coeditor_code           DK5034
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science, Crystal Engineering
 and Materials
;
_journal_page_first              489
_journal_page_last               497
_journal_paper_doi               10.1107/S2052520615011713
_journal_volume                  71
_journal_year                    2015
_chemical_formula_sum            'B3.704 O10.148 Si0.296 Sr4'
_chemical_formula_weight         561.2
_chemical_name_systematic        ' ?'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.089
_cell_length_b                   3.8635
_cell_length_c                   5.378
_cell_measurement_temperature    293
_cell_modulation_dimension       2
_cell_volume                     251.184
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.440
_diffrn_measured_fraction_theta_max 0.440
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'IPDS Stoe'
_diffrn_measurement_method       '??integration method??'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0874
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_index_m_1_max 1
_diffrn_reflns_limit_index_m_1_min -1
_diffrn_reflns_limit_index_m_2_max 1
_diffrn_reflns_limit_index_m_2_min -1
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            4765
_diffrn_reflns_theta_full        29.2
_diffrn_reflns_theta_max         29.2
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    21.198
_exptl_crystal_density_diffrn    3.71
_exptl_crystal_F_000             256
_refine_diff_density_max         1.09
_refine_diff_density_min         -4.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.64
_refine_ls_number_constraints    4
_refine_ls_number_parameters     35
_refine_ls_number_reflns         1431
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2089
_refine_ls_R_factor_gt           0.0806
_refine_ls_shift/su_max          0.0055
_refine_ls_shift/su_mean         0.0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0830
_reflns_number_gt                431
_reflns_number_total             1431
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            dk5034sup1.cif
_cod_data_source_block           III
_cod_original_cell_volume        251.1841
_cod_database_code               2310769