Crystal structure of pentasilver chloride silicate, Ag5[SiO4]Cl
Wilhelm Klein; Martin Jansen; Zeitschrift für Kristallographie - New Crystal Structures 224 (2009) 165–; doi:

data_8103014
_publ_section_title
;
 Crystal structure of pentasilver chloride silicate, Ag5[SiO4]Cl
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              165
_journal_volume                  224
_journal_year                    2009
_chemical_formula_moiety         'Ag20 Cl4 O16 Si4'
_chemical_formula_structural     'Ag5 Cl Si O4'
_chemical_formula_sum            'Ag20 Cl4 O16 Si4'
_chemical_formula_weight         2667.5
_chemical_name_common            'Silver Silicate Chloride'
_chemical_name_systematic
; 
Pentasilver Chloride Silicate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.3560(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8931(8)
_cell_length_b                   19.0916(11)
_cell_length_c                   12.7599(7)
_cell_measurement_reflns_used    8618
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      35.1
_cell_measurement_theta_min      2.8
_cell_volume                     2764.0(3)
_computing_cell_refinement       'SAINT32 (Bruker AXS)'
_computing_data_collection       'SMART32 (Bruker AXS)'
_computing_data_reduction        'SAINT32 (Bruker AXS)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2000)'
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measurement_device_type  'SMART APEX, Bruker AXS'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0263
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            42905
_diffrn_reflns_theta_full        34.45
_diffrn_reflns_theta_max         35.01
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    14.424
_exptl_absorpt_correction_T_max  0.236
_exptl_absorpt_correction_T_min  0.129
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 semi empirical absorption correction with SADABS, G. M. Sheldrick, Bruker AXS,
 Inc. Madison, WI (1998). 
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    6.4083
_exptl_crystal_description       block
_exptl_crystal_F_000             4768
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         4.08
_refine_diff_density_min         -2.64
_refine_ls_extinction_coef       210(90)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.75
_refine_ls_goodness_of_fit_ref   1.70
_refine_ls_number_constraints    0
_refine_ls_number_parameters     398
_refine_ls_number_reflns         6977
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.0007
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0016I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1069
_reflns_number_gt                5654
_reflns_number_total             6977
_reflns_threshold_expression     I>4\s(I)
_cod_data_source_file            409992.cff
_cod_data_source_block           (I)
_cod_database_code               8103014