Magnetization pole reversal of ferrimagnetic ludwigites Mn3-xNixBO5
L.N. Bezmaternykh; E.M. Kolesnikova; E.V. Eremin; S.N. Sofronova; N.V. Volkov; M.S. Molokeev; Journal of Magnetism and Magnetic Materials 364 (2014) 55–59; doi:10.1016/j.jmmm.2014.04.031

data_1529379
_publ_section_title
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 Magnetization pole reversal of ferrimagnetic ludwigites Mn3-xNixBO5
;
_journal_issue                   0
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              55
_journal_page_last               59
_journal_paper_doi               10.1016/j.jmmm.2014.04.031
_journal_volume                  364
_journal_year                    2014
_chemical_formula_moiety         'B4 Mn5.12 Ni6.84 O20'
_chemical_formula_sum            'B4 Mn5.12 Ni6.84 O20'
_chemical_formula_weight         1045.97
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_atom_sites_solution_hydrogens   .
_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            1
_cell_length_a                   9.1868(10)
_cell_length_b                   12.3218(13)
_cell_length_c                   3.0010(3)
_cell_measurement_reflns_used    478
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      55
_cell_measurement_theta_min      3
_cell_volume                     339.71(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.000
_diffrn_measured_fraction_theta_max 0.975
_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  0.0406
_diffrn_reflns_av_sigmaI/netI    0.0317
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_number            3092
_diffrn_reflns_theta_full        2.00
_diffrn_reflns_theta_max         29.54
_diffrn_reflns_theta_min         2.77
_exptl_absorpt_coefficient_mu    13.952
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.2840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2004/1. Bruker AXS Inc., Madison, Wisconsin, USA, 2004
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.113
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             264
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.022
_refine_diff_density_min         -0.997
_refine_diff_density_rms         0.243
_refine_ls_extinction_coef       0.062(4)
_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   1.039
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     59
_refine_ls_number_reflns         546
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0270
_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^)+(0.0457P)^2^+0.1022P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0711
_reflns_number_gt                503
_reflns_number_total             546
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            Mn1p2Ni1p8BO5.cif
_cod_data_source_block           a
_cod_original_sg_symbol_H-M      Pbam
_cod_database_code               1529379
_cod_database_fobs_code          1529379