A new potassium niobate, KNb~5~O~13~
Kwak, J.; Yun, H.; Chae, H. K.; Acta Crystallographica Section E 61 (2005) i132–i134; doi:10.1107/S1600536805017897

data_9007991
_publ_section_title
;
 A new potassium niobate, KNb~5~O~13~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i132
_journal_page_last               i134
_journal_paper_doi               10.1107/S1600536805017897
_journal_volume                  61
_journal_year                    2005
_chemical_formula_structural     KNb5O13
_chemical_formula_sum            'K Nb5 O13'
_chemical_formula_weight         711.65
_space_group_IT_number           57
_space_group_name_Hall           '-P 2c 2b'
_space_group_name_H-M_alt        'P b c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.672(2)
_cell_length_b                   10.737(5)
_cell_length_c                   16.742(6)
_cell_measurement_reflns_used    9114
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.08
_cell_volume                     1019.6(7)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 2005)'
_computing_data_reduction        RAPID-AUTO
_computing_molecular_graphics
'locally modified version of ORTEPII (Johnson, 1965)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_database_code_amcsd             0010449
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9248
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.59
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.932
_exptl_absorpt_correction_T_max  0.790
_exptl_absorpt_correction_T_min  0.750
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(Higashi, 2000)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.594
_refine_diff_density_min         -0.734
_refine_ls_extinction_coef       0.00360(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_matrix_type           full
_refine_ls_number_parameters     91
_refine_ls_number_reflns         1205
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.185
_refine_ls_R_factor_gt           0.0189
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0113P)^2^+3.9558P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0455
_reflns_number_gt                1147
_reflns_number_total             1205
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            mg6037.cif
_cod_data_source_block           I
_cod_depositor_comments
'Adding Fobs data from the Acta Cryst. E supplementary material.'
_cod_original_cell_volume        1019.7(7)
_cod_database_code               9007991
_amcsd_formula_title             KNb5O13
_cod_database_fobs_code 9007991