Li~3~NbO~4~
Ukei, K.; Suzuki, H.; Shishido, T.; Fukuda, T.; Acta Crystallographica Section C 50 (1994) 655–656; doi:10.1107/S010827019300890X

data_2009724
_publ_section_title
;
 Li~3~NbO~4~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              655
_journal_page_last               656
_journal_paper_doi               10.1107/S010827019300890X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li3 Nb O4'
_chemical_formula_weight         177.73
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_atom_type_scat_source           ' IntTabIV and Tokonami (1965) for O atoms'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.412(2)
_cell_length_b                   8.412(2)
_cell_length_c                   8.412(2)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      31.3
_cell_measurement_theta_min      30.4
_cell_volume                     595.2(2)
_diffrn_measurement_device       'Rigaku AFC-6A'
_diffrn_measurement_method       2\q-\w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4608
_diffrn_reflns_theta_max         32.5
_diffrn_standards_decay_%        <=1.4
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.69
_exptl_absorpt_correction_T_max  0.521
_exptl_absorpt_correction_T_min  0.453
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    3.967
_exptl_crystal_description       Cube
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.3
_refine_diff_density_min         -1.2
_refine_ls_extinction_coef       1.86E-4(4)
_refine_ls_extinction_method     'Zachariasen (1965)'
_refine_ls_goodness_of_fit_obs   9.85
_refine_ls_number_parameters     17
_refine_ls_number_reflns         2283
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.44
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(|F~o~|)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.045
_reflns_number_observed          2283
_reflns_number_total             4134
_reflns_observed_criterion       |F~o~|>=3\s(|F~o~|)
_cod_data_source_file            oh1036.cif
_cod_data_source_block           oh1036a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

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

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(|F~o~|)' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/\s^2^(|F~o~|)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        595.2(4)
_cod_original_formula_sum        'Li3 Nb1 O4'
_cod_database_code               2009724