Crystal structures of strontium octabarium hexakis(dinitridoborate) and europium octabarium hexakis(dinitridoborate), MBa~8~[BN~2~]~6~ (M = Sr, Eu)
Öztürk. S. S.; Kokal, I.; Somer, M.; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 303–304; doi:

data_8102906
_publ_section_title
;
Crystal structures of strontium octabarium hexakis(dinitridoborate) 
and europium octabarium hexakis(dinitridoborate), MBa~8~[BN~2~]~6~ (M = Sr, Eu)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              303
_journal_page_last               304
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'B12 Ba16 N24 Sr2'
_chemical_formula_weight         2838.64
_chemical_name_systematic
;
strontium octabarium hexakis(dinitridoborate)
;
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_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            2
_cell_length_a                   7.9134(13)
_cell_length_b                   7.9134(13)
_cell_length_c                   7.9134(13)
_cell_measurement_reflns_used    12
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.4
_cell_measurement_theta_min      10.31
_cell_volume                     495.55(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens P2~1~'
_diffrn_measurement_method       omega/2theta
_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  0.0801
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            359
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         3.64
_exptl_absorpt_coefficient_mu    73.191
_exptl_absorpt_correction_T_max  0.0513
_exptl_absorpt_correction_T_min  0.0513
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    19.024
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2400
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.636
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.261
_refine_ls_extinction_coef       0.010(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   0.830
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     10
_refine_ls_number_reflns         78
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.830
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0314
_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^)+(0.0761P)^2^+6.6003P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0942
_refine_ls_wR_factor_ref         0.0977
_reflns_number_gt                71
_reflns_number_total             78
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409832.cff
_cod_data_source_block           srba8[bn2]6
_cod_original_sg_symbol_H-M      Im-3m
_cod_database_code               8102906
_chemical_name_structural        SrBa8[BN2]6