Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3
Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno; Physical Chemistry Chemical Physics 4 (2002) 5888–5894; doi:10.1039/b203556a

data_7205024
_publ_section_exptl_refinement   173K
_publ_section_title
;
 Preparation, structural, Raman and impedance spectroscopic
 characterisation of the silver ion conductor (AgI)2Ag3SbS3
;
_journal_coden_ASTM              PPCPFQ
_journal_issue                   23
_journal_name_full               'Physical Chemistry Chemical Physics'
_journal_page_first              5888
_journal_page_last               5894
_journal_paper_doi               10.1039/b203556a
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Ag5 I2 S3 Sb'
_chemical_formula_weight         1011.1
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_b                   13.449(1)
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_cell_measurement_radiation      'Mo k\a'
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    173
_cell_measurement_theta_max      28.08
_cell_measurement_theta_min      2.40
_cell_measurement_wavelength     0.71073
_cell_volume                     1135.09(18)
_computing_cell_refinement       'Stoe CELL using 8000 reflections'
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_computing_molecular_graphics    'DIAMOND and SCIAN'
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_diffrn_measurement_device       'imaging plate system'
_diffrn_measurement_device_type  'IPDS Stoe'
_diffrn_measurement_method       '??integration method??'
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_diffrn_reflns_av_sigmaI/netI    0.0052
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -10
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_diffrn_reflns_theta_full        28.08
_diffrn_reflns_theta_max         28.08
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    16.820
_exptl_absorpt_correction_T_max  0.2066
_exptl_absorpt_correction_T_min  0.0598
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      5.915
_exptl_crystal_density_meas_temp 173
_exptl_crystal_description       plate
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_refine_ls_shift/esd_max         0.0013
_refine_ls_shift/esd_mean        0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0565
_refine_ls_wR_factor_gt          0.0559
_reflns_limit_h_max              14
_reflns_limit_h_min              0
_reflns_limit_k_max              17
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              0
_reflns_number_observed          1355
_reflns_number_total             1459
_reflns_observed_criterion       3
_cod_data_source_file            b203556a.cif
_cod_data_source_block           173K
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' 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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-03
;
_cod_original_cell_volume        1135.1(2)
_cod_original_formula_sum        'Ag5 I2 Sb1 S3'
_cod_database_code               7205024