Silver insertion mode in β-Ag~<i>x~</i>V~2~O~5~ tunnel structure
Déramond, E.; Savariault, J.-M.; Galy, J.; Acta Crystallographica Section C 50 (1994) 164–166; doi:10.1107/S0108270193007802

data_2009448
_publ_section_title
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 Silver insertion mode in \b-Ag~<i>x~</i>V~2~O~5~ tunnel structure
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_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              164
_journal_page_last               166
_journal_paper_doi               10.1107/S0108270193007802
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Ag0.4 O5 V2'
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 109.94(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            6
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_cell_length_b                   3.6139(3)
_cell_length_c                   10.088(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      36
_cell_measurement_theta_min      11
_cell_volume                     527.4(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2353
_diffrn_reflns_theta_max         40
_diffrn_standards_decay_%        XX
_diffrn_standards_interval_time  60
_diffrn_standards_number         '3 (040, 006, \=7\=10)'
_exptl_absorpt_coefficient_mu    7.59
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.624
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            'black with metallic lustre'
_exptl_crystal_density_diffrn    4.25
_exptl_crystal_description       'elongated plates'
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.8
_refine_diff_density_min         -3.3
_refine_ls_extinction_coef       0.0025E-4
_refine_ls_extinction_method     XXX?
_refine_ls_goodness_of_fit_obs   1.067
_refine_ls_number_parameters     80
_refine_ls_number_reflns         2055
_refine_ls_R_factor_obs          0.0447
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.73/[\s^2^(F) + 0.005F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0498
_reflns_number_observed          2055
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_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            du1054.cif
_cod_data_source_block           du1054_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1.73/[\s^2^(F) + 0.005F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1.73/[\s^2^(F) +
0.005F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        527.37(4)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Ag0.4 V2 O5'
_cod_database_code               2009448