Powder neutron diffraction of SrNbO~2~N at room temperature and 1.5K
Ebbinghaus, Stefan G.; Weidenkaff, Anke; Rachel, Anita; Reller, Armin; Acta Crystallographica Section C 60 (2004) i91–i93; doi:10.1107/S0108270104016105

data_2014226
_publ_section_title
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 Powder neutron diffraction of SrNbO~2~N at room temperature and 1.5K
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_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i91
_journal_page_last               i93
_journal_paper_doi               10.1107/S0108270104016105
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          'Sr Nb O2 N'
_chemical_formula_structural     'Sr Nb O2 N'
_chemical_formula_sum            'N3.84 Nb4 O8.16 Sr4'
_chemical_formula_weight         906.48
_chemical_name_systematic
;
strontium niobium dioxygen nitride
;
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.6938(4)
_cell_length_b                   5.6938(4)
_cell_length_c                   8.0974(8)
_cell_measurement_temperature    1.5
_cell_volume                     262.51(4)
_computing_cell_refinement       'FULLPROF2000 (Rodr\'iguez-Carvajal, 1990)'
_computing_data_collection       'SINQ Instrument Control System (SICS)'
_computing_data_reduction        'SINQ Instrument Control System (SICS)'
_computing_molecular_graphics    'ATOMS (Dowty, 1995)'
_computing_publication_material  'Please provide missing details'
_computing_structure_refinement  FULLPROF2000
_diffrn_ambient_temperature      1.5
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measurement_device_type  'SINQ HRPT'
_diffrn_radiation_monochromator  'Ge (533)'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.49328
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            98
_diffrn_reflns_theta_full        74.93
_diffrn_reflns_theta_max         74.93
_diffrn_reflns_theta_min         11.10
_exptl_absorpt_coefficient_mu    0.0098
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    5.734
_exptl_crystal_density_method    'not measured'
_refine_ls_goodness_of_fit_all   1.57
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     20
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.57
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_reflns_number_gt                98
_reflns_number_total             98
_cod_data_source_file            sk1729.cif
_cod_data_source_block           LT
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
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_cod_database_code               2014226