On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~
Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri; Acta Crystallographica Section B 71 (2015) 777–787; doi:10.1107/S2052520615018363

data_2107292
_publ_section_title
;
 On the transferability of electron density in binary vanadium borides VB,
 V~3~B~4~ and VB~2~
;
_journal_coeditor_code           PI5025
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              777
_journal_page_last               787
_journal_paper_doi               10.1107/S2052520615018363
_journal_volume                  71
_journal_year                    2015
_chemical_formula_moiety         'B4 V3'
_chemical_formula_sum            'B4 V3'
_chemical_formula_weight         196.06
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_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.9821(2)
_cell_length_b                   3.0601(2)
_cell_length_c                   13.2251(5)
_cell_measurement_reflns_used    5563
_cell_measurement_temperature    295
_cell_measurement_theta_max      60.5
_cell_measurement_theta_min      2.43
_cell_volume                     120.686(12)
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_computing_structure_refinement
;
WinCSD (Akselrud et al, 1993) and WinXD (Volkov et al., 2006)
;
_computing_structure_solution    WinCSD
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_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku R-axis Spider'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  'Multilayer Optics'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.560871
_diffrn_reflns_av_R_equivalents  0.0186
_diffrn_reflns_av_sigmaI/netI    0.0186
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_diffrn_reflns_limit_k_min       -9
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_diffrn_reflns_limit_l_min       -40
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_diffrn_standards_decay_%        0.10(10)
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_exptl_absorpt_correction_T_min  0.8299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Corp., 2000), '
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    5.3948(9)
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             178
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.03
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_all          0.0186
_refine_ls_R_factor_gt           0.0186
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_details     0.305/[\s(F~o~)^2^]
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0133
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_cod_database_fobs_code          2107292