Synthetic control of composition and crystallite size of silver hollandite, Ag(x)Mn8O16: impact on electrochemistry.
Takeuchi, Kenneth J.; Yau, Shali Z.; Menard, Melissa C.; Marschilok, Amy C.; Takeuchi, Esther S.; ACS applied materials & interfaces 4 (2012) 5547–5554; doi:10.1021/am301443g

data_4506591
_publ_section_title
;
 Synthetic control of composition and crystallite size of silver
 hollandite, Ag(x)Mn8O16: impact on electrochemistry.
;
_journal_issue                   10
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              5547
_journal_page_last               5554
_journal_paper_doi               10.1021/am301443g
_journal_volume                  4
_journal_year                    2012
_chemical_formula_sum            'Ag1.15 Mn8 O16'
_chemical_formula_weight         819.57
_chemical_name_systematic        ' ?'
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_audit_creation_date             2012-02-18T21:14
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2012-02-18T21:14  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   9.831(11)
_cell_length_b                   9.831
_cell_length_c                   2.872(6)
_cell_measurement_temperature    25
_cell_volume                     277.6(7)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      25
_diffrn_radiation_polarisn_ratio 0.5
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id                     2012-02-18T21:14|MM3962C_4|mm|
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.025
_pd_meas_2theta_range_max        100.0
_pd_meas_2theta_range_min        10.0
_pd_meas_number_of_points        3601
_pd_phase_name
'from I:/Ag-Hollandite/XRD/Ag Hollandite_Rietvled/mm3962C-std/Ag1.8'
_pd_proc_2theta_range_inc        0.025
_pd_proc_2theta_range_max        99.94982
_pd_proc_2theta_range_min        9.94982
_pd_proc_info_datetime           2012-02-18T21:14:30
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with  6 terms.
 Shifted Chebyshev function of 1st kind
      1:    31.2537     2:   -23.0403     3:    9.03986     4:   -6.05830    
      5:    3.40460     6:   -1.76640    
;
_pd_proc_ls_peak_cutoff          0.02500
_pd_proc_ls_profile_function
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Peak tails are ignored  where the intensity is below 0.0250 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.1473
_pd_proc_ls_prof_wR_expected     0.1332
_pd_proc_ls_prof_wR_factor       0.1853
_pd_proc_number_of_points        3601
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.39
_refine_ls_matrix_type           full
_refine_ls_number_parameters     14
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.13283
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        1.021
_reflns_d_resolution_low         6.952
_reflns_limit_h_max              10
_reflns_limit_h_min              0
_reflns_limit_k_max              10
_reflns_limit_k_min              0
_reflns_limit_l_max              3
_reflns_limit_l_min              0
_reflns_number_total             85
_cod_data_source_file            am301443g_si_001.cif
_cod_data_source_block           MM3962C_4_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26 (23
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26 (22 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        277.6(8)
_cod_database_code               4506591
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000