MgNB~9~, a new magnesium nitridoboride
Mironov, Andrei; Kazakov, Sergei; Jun, Jan; Karpinski, Janusz; Acta Crystallographica Section C 58 (2002) i95–i97; doi:10.1107/S0108270102009253

data_2012796
_publ_section_title
;
 MgNB~9~, a new magnesium nitridoboride
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i95
_journal_page_last               i97
_journal_paper_doi               10.1107/S0108270102009253
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Mg N B9'
_chemical_formula_structural     'Mg N B9'
_chemical_formula_sum            'B9 Mg N'
_chemical_formula_weight         135.60
_chemical_name_systematic
;
Magnesium nitridoboride
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.4960(2)
_cell_length_b                   5.4960(2)
_cell_length_c                   20.0873(16)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      25.7
_cell_measurement_theta_min      12.5
_cell_volume                     525.47(5)
_computing_cell_refinement       'CAD-4 Manual'
_computing_data_collection       'CAD-4 Manual (Enraf-Nonius, 1988)'
_computing_data_reduction        'JANA2000 (Pet\<ri\<cek & Du\<sek, 2000)'
_computing_molecular_graphics    'ATOMS (Dowty, 1998)'
_computing_publication_material  JANA2000
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_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_measurement_method       \q/1.33\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_av_sigmaI/netI    0.014
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_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
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_diffrn_reflns_theta_max         50.00
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
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_exptl_absorpt_correction_T_max  0.973
_exptl_absorpt_correction_T_min  0.950
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_exptl_absorpt_process_details   'JANA2000 (Petri\<cek & Du\<sek, 2000)'
_exptl_crystal_colour            black
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_refine_ls_shift/su_max          0.001
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0009F^2^)'
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.035
_reflns_number_gt                630
_reflns_number_total             712
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            br1376.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               2012796