Structural study of AgNbO~3~ at room temperature
Fabry, Jan; Zikmund, Zdenek; Kania, Antoni; Petricek, Vaclav; Acta Crystallographica, Section C 56 (2000) 916–918; doi:10.1107/S0108270100006806

data_1100917
_publ_section_title
;
Structural study of AgNbO~3~ at room temperature
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              916
_journal_page_last               918
_journal_paper_doi               10.1107/S0108270100006806
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          'Ag Nb O3'
_chemical_formula_moiety         'Ag Nb O3'
_chemical_formula_structural     'Ag Nb O3'
_chemical_formula_sum            'Ag Nb O3'
_chemical_formula_weight         248.77
_chemical_name_systematic
;
silver niobate
;
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   5.5462(3)
_cell_length_b                   5.6028(4)
_cell_length_c                   15.6365(13)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    292.0(10)
_cell_measurement_theta_max      33
_cell_measurement_theta_min      5
_cell_volume                     485.90(6)
_diffrn_measurement_device       'Hilger & Watts'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .025
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5156
_diffrn_reflns_theta_full        30
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        7.0
_diffrn_standards_interval_count 30
_diffrn_standards_interval_time  ?
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.492
_exptl_absorpt_correction_T_max  .356
_exptl_absorpt_correction_T_min  .130
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(Templeton & Templeton, 1978)'
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    6.799
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             896
_exptl_crystal_size_max          .31
_exptl_crystal_size_mid          .17
_exptl_crystal_size_min          .09
_refine_diff_density_max         1.20
_refine_diff_density_min         -3.65
_refine_ls_extinction_coef       .000228(4)
_refine_ls_extinction_method     'type II (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_all   2.69
_refine_ls_goodness_of_fit_ref   2.84
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     52
_refine_ls_number_reflns         1689
_refine_ls_R_factor_gt           .034
_refine_ls_shift/su_max          .01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = (\s^2^(F~o~)+0.0001(F~o~)^2^)^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .053
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_reflns_number_total             1689
_reflns_threshold_expression     I>3\s(I)
_cod_duplicate_entry             1100916
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Gaussian' changed to 'gaussian'
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:

'_refine_ls_weighting_scheme' value 'w =
(\s^2^(F~o~)+0.0001(F~o~)^2^)^-1^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = (\s^2^(F~o~)+0.0001(F~o~)^2^)^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               1100917