Ti-Substituted BaFe12O19Single Crystal Growth and Characterization
Vinnik, Denis A.; Zherebtsov, Dmitry A.; Mashkovtseva, Lubov S.; Nemrava, Sandra; Perov, Nikolai S.; Semisalova, Anna S.; Krivtsov, Igor V.; Isaenko, Ludmila I.; Mikhailov, Gennady G.; Niewa, Rainer; Crystal Growth & Design 14 (2014) 5834–; doi:10.1021/cg501075c

data_4512056
_publ_section_title
;
 Ti-Substituted BaFe12O19Single Crystal Growth and Characterization
;
_journal_issue                   11
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5834
_journal_paper_doi               10.1021/cg501075c
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'Ba2 Fe22.46 O38 Ti1.54'
_chemical_formula_weight         2210.84
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.89810(10)
_cell_length_b                   5.89810(10)
_cell_length_c                   23.2029(7)
_cell_measurement_temperature    293(2)
_cell_volume                     699.03(3)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0557
_diffrn_reflns_av_unetI/netI     0.0212
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            7694
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.497
_diffrn_reflns_theta_min         1.755
_exptl_absorpt_coefficient_mu    14.561
_exptl_crystal_density_diffrn    5.252
_exptl_crystal_F_000             1034
_refine_diff_density_max         0.901
_refine_diff_density_min         -0.917
_refine_diff_density_rms         0.190
_refine_ls_extinction_coef       0.0127(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   3.324
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     38
_refine_ls_number_reflns         469
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      3.324
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[\s^2^(Fo^2^)] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0602
_reflns_Friedel_coverage         0.000
_reflns_number_gt                438
_reflns_number_total             469
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cg501075c_si_001.cif
_cod_data_source_block           D:\Uni\Kristall\MBaTiDip\snfeb13b
_cod_depositor_comments          'Adding full bibliography for 4512056.cif.'
_cod_database_code               4512056
_shelxl_version_number           2013-4
_shelx_res_checksum              15252
_shelx_hkl_checksum              12510