#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/30/8103014.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8103014
loop_
_publ_author_name
'Wilhelm Klein'
'Martin Jansen'
_publ_section_title
;
 Crystal structure of pentasilver chloride silicate, Ag5[SiO4]Cl
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für 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/(σ²(I)+0.0016I²)
_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>4σ(I)
_cod_data_source_file            409992.cff
_cod_data_source_block           (I)
_cod_database_code               8103014
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.07520(5) 0.24815(2) 0.41686(5) Uani 0.0284(2) 4 1 d . . .
Ag2 Ag 0.70229(5) 0.10752(3) 0.04801(5) Uani 0.02865(19) 4 1 d . . .
Ag3 Ag 0.69287(5) 0.03756(3) 0.80237(5) Uani 0.0274(2) 4 1 d . . .
Ag4 Ag 0.56725(5) 0.24826(3) 0.42946(5) Uani 0.0313(2) 4 1 d . . .
Ag5 Ag 0.19344(4) 0.10033(3) 0.55641(4) Uani 0.02778(19) 4 1 d . . .
Ag6 Ag 0.44021(4) 0.10729(3) 0.29353(5) Uani 0.02667(18) 4 1 d . . .
Ag7 Ag 0.94141(4) 0.10012(3) 0.79519(5) Uani 0.02803(19) 4 1 d . . .
Ag8 Ag 0.94021(5) 0.03908(3) 0.05765(5) Uani 0.0269(2) 4 1 d . . .
Ag9 Ag 0.94393(5) 0.04021(3) 0.55823(4) Uani 0.0260(2) 4 1 d . . .
Ag10 Ag 0.19112(5) 0.04614(3) 0.81431(5) Uani 0.0283(2) 4 1 d . . .
Ag11 Ag 0.43317(7) 0.03980(4) 0.06113(7) Uani 0.0547(4) 4 1 d . . .
Ag12 Ag 0.19664(5) 0.05639(3) 0.32915(5) Uani 0.0334(2) 4 1 d . . .
Ag13 Ag 0.54006(7) 0.19796(3) 0.68326(7) Uani 0.0456(3) 4 1 d . . .
Ag14 Ag 0.79953(6) 0.24740(3) 0.72487(6) Uani 0.0370(2) 4 1 d . . .
Ag15 Ag 0.33231(7) 0.20334(3) 0.99470(7) Uani 0.0414(3) 4 1 d . . .
Ag16 Ag 0.26037(6) 0.24600(3) 0.70911(6) Uani 0.0422(3) 4 1 d . . .
Ag17 Ag 0.82841(8) 0.19326(3) 0.46273(8) Uani 0.0496(4) 4 1 d . . .
Ag18 Ag 0.99868(7) 0.19730(3) 0.14585(7) Uani 0.0443(3) 4 1 d . . .
Ag19 Ag 0.67068(6) 0.05271(3) 0.28340(6) Uani 0.0357(3) 4 1 d . . .
Ag20 Ag 0.43063(8) 0.04573(4) 0.55860(7) Uani 0.0588(4) 4 1 d . . .
Si1 Si 0.67891(13) 0.10260(8) 0.56539(13) Uani 0.0141(5) 4 1 d . . .
O11 O 0.6000(4) 0.0676(2) 0.4342(4) Uani 0.0222(16) 4 1 d . . .
O12 O 0.6070(4) 0.1000(2) 0.6412(4) Uani 0.0206(16) 4 1 d . . .
O13 O 0.8015(4) 0.0587(2) 0.6360(4) Uani 0.0213(16) 4 1 d . . .
O14 O 0.7082(4) 0.1843(2) 0.5519(4) Uani 0.0220(17) 4 1 d . . .
Si2 Si 0.42500(13) 0.10725(8) 0.82294(14) Uani 0.0149(6) 4 1 d . . .
O21 O 0.5525(4) 0.0698(2) 0.8934(4) Uani 0.0276(18) 4 1 d . . .
O22 O 0.3496(4) 0.0624(2) 0.6997(4) Uani 0.0213(16) 4 1 d . . .
O23 O 0.3543(4) 0.1062(2) 0.9005(4) Uani 0.0220(17) 4 1 d . . .
O24 O 0.4393(4) 0.1882(2) 0.7917(4) Uani 0.0217(17) 4 1 d . . .
Si3 Si 0.93318(13) 0.10047(8) 0.31383(13) Uani 0.0136(5) 4 1 d . . .
O31 O 1.0606(4) 0.1385(2) 0.3915(4) Uani 0.0211(15) 4 1 d . . .
O32 O 0.8620(4) 0.0957(2) 0.3898(4) Uani 0.0209(16) 4 1 d . . .
O33 O 0.8604(4) 0.1466(2) 0.1937(4) Uani 0.0199(15) 4 1 d . . .
O34 O 0.9582(4) 0.0220(2) 0.2791(4) Uani 0.0192(16) 4 1 d . . .
Si4 Si 0.17392(14) 0.10460(8) 0.06564(13) Uani 0.0153(6) 4 1 d . . .
O41 O 0.2934(3) 0.1509(2) 0.1403(4) Uani 0.0205(15) 4 1 d . . .
O42 O 0.0971(4) 0.1429(2) -0.0630(4) Uani 0.0209(15) 4 1 d . . .
O43 O 0.0990(4) 0.0998(2) 0.1395(4) Uani 0.0225(17) 4 1 d . . .
O44 O 0.2100(4) 0.0262(2) 0.0418(4) Uani 0.0230(18) 4 1 d . . .
Cl1 Cl 0.33584(15) 0.17290(8) 0.43377(15) Uani 0.0281(6) 4 1 d . . .
Cl2 Cl 0.07346(15) 0.18130(9) 0.67079(15) Uani 0.0300(6) 4 1 d . . .
Cl3 Cl 0.57877(14) 0.17058(9) 0.17273(16) Uani 0.0298(6) 4 1 d . . .
Cl4 Cl 0.80771(17) 0.17905(9) 0.90257(16) Uani 0.0321(7) 4 1 d . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
Ag -0.897 1.102 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 19.2808
0.6446 16.688499 7.4726 4.8045 24.6605 1.0463 99.815598 5.179
Si 0.082 0.070 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 6.2915
2.4386 3.0353 32.333698 1.9891 0.6785 1.541 81.693703 1.1407
Cl 0.148 0.159 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 11.4604
0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784 -9.5574
O 0.011 0.006 'International Tables Vol C tables 4.2.6.8 and 6.1.1.4' 3.0485
13.2771 2.2868 5.7011 1.5463 0.3239 0.867 32.908901 0.2508
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O31 Ag1 O42 1_455 . 4_555 176.3(2) yes
O21 Ag2 O33 1_554 . . 174.8(2) yes
O21 Ag2 Cl3 1_554 . . 98.74(17) no
O33 Ag2 Cl3 . . . 85.73(15) no
O12 Ag3 O21 . . . 98.08(18) no
O12 Ag3 O44 . . 3_656 175.0(2) yes
O21 Ag3 O44 . . 3_656 86.86(19) no
O14 Ag4 O24 . . 4_554 171.6(2) yes
O22 Ag5 O31 . . 1_455 166.5(2) yes
O11 Ag6 O41 . . . 172.2(2) yes
O11 Ag6 Cl1 . . . 100.13(15) no
O41 Ag6 Cl1 . . . 85.95(14) no
O13 Ag7 O42 . . 1_656 170.1(2) yes
Ag8 Ag8 O34 3_755 . . 129.57(9) no
Ag8 Ag8 O43 3_755 . 1_655 85.03(15) no
Ag8 Ag8 O44 3_755 . 3_655 87.16(16) no
O34 Ag8 O43 . . 1_655 88.18(17) no
O34 Ag8 O44 . . 3_655 98.71(17) no
O43 Ag8 O44 1_655 . 3_655 171.8(2) yes
Ag9 Ag9 O13 3_756 . . 154.76(10) no
Ag9 Ag9 O32 3_756 . . 83.08(14) no
Ag9 Ag9 O34 3_756 . 3_756 89.75(14) no
O13 Ag9 O32 . . . 102.79(17) no
O13 Ag9 O34 . . 3_756 84.34(17) no
O32 Ag9 O34 . . 3_756 172.7(2) yes
O23 Ag10 O34 . . 3_656 172.6(2) yes
O23 Ag10 O44 . . 1_556 87.76(17) no
O34 Ag10 O44 3_656 . 1_556 96.06(16) no
O21 Ag11 O23 3_656 . 1_554 138.70(17) yes
O21 Ag11 O44 3_656 . . 83.46(17) no
O23 Ag11 O44 1_554 . . 88.27(17) no
O13 Ag12 O31 3_656 . 1_455 116.85(18) no
O13 Ag12 O34 3_656 . 1_455 74.45(15) no
O13 Ag12 O43 3_656 . . 120.94(15) yes
O13 Ag12 Cl1 3_656 . . 138.48(10) yes
O31 Ag12 O34 1_455 . 1_455 55.63(12) no
O31 Ag12 O43 1_455 . . 89.61(16) no
O31 Ag12 Cl1 1_455 . . 76.00(10) no
O34 Ag12 O43 1_455 . . 81.71(16) no
O34 Ag12 Cl1 1_455 . . 131.58(10) no
O43 Ag12 Cl1 . . . 97.12(11) yes
O12 Ag13 O24 . . . 117.93(18) yes
O12 Ag13 Cl3 . . 4_555 134.30(16) yes
O24 Ag13 Cl3 . . 4_555 106.72(12) yes
O14 Ag14 O33 . . 4_555 111.23(17) yes
O14 Ag14 Cl4 . . . 111.69(13) yes
O33 Ag14 Cl4 4_555 . . 137.08(12) yes
O23 Ag15 O41 . . 1_556 101.20(17) yes
O23 Ag15 O42 . . 1_556 85.55(16) no
O23 Ag15 Cl1 . . 4_555 125.15(15) yes
O23 Ag15 Cl3 . . 1_556 82.95(10) no
O41 Ag15 O42 1_556 . 1_556 57.40(12) no
O41 Ag15 Cl1 1_556 . 4_555 133.47(13) yes
O41 Ag15 Cl3 1_556 . 1_556 81.89(10) no
O42 Ag15 Cl1 1_556 . 4_555 117.07(9) no
O42 Ag15 Cl3 1_556 . 1_556 134.37(9) no
Cl1 Ag15 Cl3 4_555 . 1_556 105.49(5) no
O24 Ag16 O41 . . 4_555 105.05(17) yes
O24 Ag16 Cl1 . . 4_555 90.59(12) no
O24 Ag16 Cl2 . . . 120.39(12) yes
O41 Ag16 Cl1 4_555 . 4_555 83.50(12) no
O41 Ag16 Cl2 4_555 . . 132.87(10) yes
Cl1 Ag16 Cl2 4_555 . . 106.49(7) no
O14 Ag17 O32 . . . 116.93(18) yes
O14 Ag17 Cl4 . . 4_554 102.75(12) yes
O32 Ag17 Cl4 . . 4_554 134.07(15) yes
O33 Ag18 O43 . . 1_655 100.67(17) yes
O33 Ag18 Cl2 . . 4_654 130.57(13) yes
O33 Ag18 Cl4 . . 1_554 82.33(10) no
O43 Ag18 Cl2 1_655 . 4_654 125.07(14) yes
O43 Ag18 Cl4 1_655 . 1_554 94.04(11) no
Cl2 Ag18 Cl4 4_654 . 1_554 109.18(6) no
O11 Ag19 O22 . . 3_656 86.31(18) no
O11 Ag19 O32 . . . 100.56(16) no
O11 Ag19 Cl3 . . . 94.61(11) no
O22 Ag19 O32 3_656 . . 115.49(15) yes
O22 Ag19 Cl3 3_656 . . 148.45(10) yes
O32 Ag19 Cl3 . . . 95.39(11) yes
O11 Ag20 O12 3_656 . . 126.29(15) yes
O11 Ag20 O22 3_656 . . 87.16(18) no
O11 Ag20 Cl1 3_656 . . 145.30(10) yes
O12 Ag20 O22 . . . 106.21(17) no
O12 Ag20 Cl1 . . . 86.50(11) yes
O22 Ag20 Cl1 . . . 94.54(10) no
O11 Si1 O12 . . . 110.1(3) yes
O11 Si1 O13 . . . 108.9(2) yes
O11 Si1 O14 . . . 110.2(2) yes
O12 Si1 O13 . . . 109.4(3) yes
O12 Si1 O14 . . . 108.5(3) yes
O13 Si1 O14 . . . 109.7(2) yes
Ag6 O11 Ag19 . . . 87.25(16) no
Ag6 O11 Ag20 . . 3_656 105.25(17) no
Ag6 O11 Si1 . . . 126.9(3) no
Ag6 O11 O12 . . . 108.4(2) no
Ag6 O11 O13 . . . 161.8(2) no
Ag6 O11 O14 . . . 102.36(18) no
Ag19 O11 Ag20 . . 3_656 93.36(18) no
Ag19 O11 Si1 . . . 123.9(3) no
Ag19 O11 O12 . . . 158.7(2) no
Ag19 O11 O13 . . . 101.1(2) no
Ag19 O11 O14 . . . 104.0(2) no
Ag20 O11 Si1 3_656 . . 113.3(2) no
Ag20 O11 O12 3_656 . . 96.2(2) no
Ag20 O11 O13 3_656 . . 90.53(16) no
Ag20 O11 O14 3_656 . . 147.9(2) no
O12 O11 O13 . . . 59.91(18) no
O12 O11 O14 . . . 59.28(18) no
O13 O11 O14 . . . 60.04(14) no
Ag3 O12 Ag13 . . . 108.3(2) no
Ag3 O12 Ag20 . . . 97.9(2) no
Ag3 O12 Si1 . . . 113.6(2) no
Ag3 O12 O11 . . . 124.8(2) no
Ag3 O12 O13 . . . 78.34(16) no
Ag3 O12 O14 . . . 127.4(2) no
Ag13 O12 Ag20 . . . 94.51(19) no
Ag13 O12 Si1 . . . 120.8(2) no
Ag13 O12 O11 . . . 126.7(2) no
Ag13 O12 O13 . . . 137.1(2) no
Ag13 O12 O14 . . . 85.41(18) no
Ag20 O12 Si1 . . . 118.0(2) no
Ag20 O12 O11 . . . 83.03(16) no
Ag20 O12 O13 . . . 127.3(2) no
Ag20 O12 O14 . . . 132.27(19) no
O11 O12 O13 . . . 59.73(18) no
O11 O12 O14 . . . 60.47(18) no
O13 O12 O14 . . . 60.39(19) no
Ag7 O13 Ag9 . . . 88.97(17) no
Ag7 O13 Ag12 . . 3_656 104.53(16) no
Ag7 O13 Si1 . . . 119.7(2) no
Ag7 O13 O11 . . . 153.8(2) no
Ag7 O13 O12 . . . 104.4(2) no
Ag7 O13 O14 . . . 93.78(17) no
Ag9 O13 Ag12 . . 3_656 89.99(17) no
Ag9 O13 Si1 . . . 123.9(3) no
Ag9 O13 O11 . . . 100.9(2) no
Ag9 O13 O12 . . . 159.0(2) no
Ag9 O13 O14 . . . 104.1(2) no
Ag12 O13 Si1 3_656 . . 122.0(2) no
Ag12 O13 O11 3_656 . . 99.69(17) no
Ag12 O13 O12 3_656 . . 101.9(2) no
Ag12 O13 O14 3_656 . . 157.1(2) no
O11 O13 O12 . . . 60.36(18) no
O11 O13 O14 . . . 60.40(15) no
O12 O13 O14 . . . 59.55(19) no
Ag4 O14 Ag14 . . . 105.92(19) no
Ag4 O14 Ag17 . . . 97.7(2) no
Ag4 O14 Si1 . . . 117.8(2) no
Ag4 O14 O11 . . . 91.74(15) no
Ag4 O14 O12 . . . 103.9(2) no
Ag4 O14 O13 . . . 151.0(2) no
Ag14 O14 Ag17 . . . 106.00(18) no
Ag14 O14 Si1 . . . 116.1(3) no
Ag14 O14 O11 . . . 150.5(2) no
Ag14 O14 O12 . . . 92.2(2) no
Ag14 O14 O13 . . . 99.08(16) no
Ag17 O14 Si1 . . . 111.3(3) no
Ag17 O14 O11 . . . 94.5(2) no
Ag17 O14 O12 . . . 146.7(2) no
Ag17 O14 O13 . . . 89.1(2) no
O11 O14 O12 . . . 60.25(18) no
O11 O14 O13 . . . 59.55(14) no
O12 O14 O13 . . . 60.07(18) no
O21 Si2 O22 . . . 106.5(3) yes
O21 Si2 O23 . . . 111.8(3) yes
O21 Si2 O24 . . . 110.6(3) yes
O22 Si2 O23 . . . 109.1(3) yes
O22 Si2 O24 . . . 110.1(2) yes
O23 Si2 O24 . . . 108.7(3) yes
Ag2 O21 Ag3 1_556 . . 88.69(18) no
Ag2 O21 Ag11 1_556 . 3_656 98.92(17) no
Ag2 O21 Si2 1_556 . . 126.9(3) no
Ag2 O21 O22 1_556 . . 162.9(2) no
Ag2 O21 O23 1_556 . . 109.8(2) no
Ag2 O21 O24 1_556 . . 102.12(19) no
Ag3 O21 Ag11 . . 3_656 84.47(18) no
Ag3 O21 Si2 . . . 125.8(3) no
Ag3 O21 O22 . . . 99.1(2) no
Ag3 O21 O23 . . . 159.0(2) no
Ag3 O21 O24 . . . 108.3(2) no
Ag11 O21 Si2 3_656 . . 120.9(3) no
Ag11 O21 O22 3_656 . . 96.99(18) no
Ag11 O21 O23 3_656 . . 101.7(2) no
Ag11 O21 O24 3_656 . . 155.5(2) no
O22 O21 O23 . . . 60.36(18) no
O22 O21 O24 . . . 60.99(15) no
O23 O21 O24 . . . 59.24(19) no
Ag5 O22 Ag19 . . 3_656 108.35(17) no
Ag5 O22 Ag20 . . . 88.44(16) no
Ag5 O22 Si2 . . . 122.7(2) no
Ag5 O22 O21 . . . 156.7(2) no
Ag5 O22 O23 . . . 107.6(2) no
Ag5 O22 O24 . . . 96.21(17) no
Ag19 O22 Ag20 3_656 . . 92.99(17) no
Ag19 O22 Si2 3_656 . . 117.6(2) no
Ag19 O22 O21 3_656 . . 94.12(17) no
Ag19 O22 O23 3_656 . . 99.6(2) no
Ag19 O22 O24 3_656 . . 152.1(2) no
Ag20 O22 Si2 . . . 119.8(3) no
Ag20 O22 O21 . . . 96.6(2) no
Ag20 O22 O23 . . . 155.1(2) no
Ag20 O22 O24 . . . 100.9(2) no
O21 O22 O23 . . . 61.27(19) no
O21 O22 O24 . . . 60.54(15) no
O23 O22 O24 . . . 59.38(18) no
Ag10 O23 Ag11 . . 1_556 94.28(19) no
Ag10 O23 Ag15 . . . 111.1(2) no
Ag10 O23 Si2 . . . 112.5(2) no
Ag10 O23 O21 . . . 123.4(2) no
Ag10 O23 O22 . . . 76.95(16) no
Ag10 O23 O24 . . . 125.9(2) no
Ag11 O23 Ag15 1_556 . . 95.44(19) no
Ag11 O23 Si2 1_556 . . 115.2(2) no
Ag11 O23 O21 1_556 . . 81.74(17) no
Ag11 O23 O22 1_556 . . 120.1(2) no
Ag11 O23 O24 1_556 . . 134.7(2) no
Ag15 O23 Si2 . . . 123.4(3) no
Ag15 O23 O21 . . . 125.5(2) no
Ag15 O23 O22 . . . 143.4(2) no
Ag15 O23 O24 . . . 88.98(18) no
O21 O23 O22 . . . 58.36(18) no
O21 O23 O24 . . . 59.96(19) no
O22 O23 O24 . . . 60.56(19) no
Ag4 O24 Ag13 4_555 . . 90.74(19) no
Ag4 O24 Ag16 4_555 . . 108.59(19) no
Ag4 O24 Si2 4_555 . . 118.2(2) no
Ag4 O24 O21 4_555 . . 92.90(16) no
Ag4 O24 O22 4_555 . . 151.1(2) no
Ag4 O24 O23 4_555 . . 104.8(2) no
Ag13 O24 Ag16 . . . 114.33(19) no
Ag13 O24 Si2 . . . 112.6(3) no
Ag13 O24 O21 . . . 91.5(2) no
Ag13 O24 O22 . . . 93.4(2) no
Ag13 O24 O23 . . . 148.3(2) no
Ag16 O24 Si2 . . . 111.1(3) no
Ag16 O24 O21 . . . 145.4(3) no
Ag16 O24 O22 . . . 95.65(16) no
Ag16 O24 O23 . . . 87.1(2) no
O21 O24 O22 . . . 58.47(14) no
O21 O24 O23 . . . 60.80(19) no
O22 O24 O23 . . . 60.05(18) no
O31 Si3 O32 . . . 110.7(3) yes
O31 Si3 O33 . . . 107.2(2) yes
O31 Si3 O34 . . . 107.5(2) yes
O32 Si3 O33 . . . 110.9(3) yes
O32 Si3 O34 . . . 110.5(3) yes
O33 Si3 O34 . . . 109.9(2) yes
Ag1 O31 Ag5 1_655 . 1_655 102.59(16) no
Ag1 O31 Ag12 1_655 . 1_655 126.1(2) no
Ag1 O31 Si3 1_655 . . 121.6(2) no
Ag1 O31 O32 1_655 . . 108.6(2) no
Ag1 O31 O33 1_655 . . 93.69(16) no
Ag1 O31 O34 1_655 . . 154.75(18) no
Ag5 O31 Ag12 1_655 . 1_655 76.34(13) no
Ag5 O31 Si3 1_655 . . 123.9(3) no
Ag5 O31 O32 1_655 . . 102.9(2) no
Ag5 O31 O33 1_655 . . 160.2(2) no
Ag5 O31 O34 1_655 . . 102.15(18) no
Ag12 O31 Si3 1_655 . . 99.7(2) no
Ag12 O31 O32 1_655 . . 124.43(18) no
Ag12 O31 O33 1_655 . . 103.16(19) no
Ag12 O31 O34 1_655 . . 65.35(16) no
O32 O31 O33 . . . 60.62(17) no
O32 O31 O34 . . . 60.57(18) no
O33 O31 O34 . . . 61.06(14) no
Ag9 O32 Ag17 . . . 95.43(19) no
Ag9 O32 Ag19 . . . 106.7(2) no
Ag9 O32 Si3 . . . 118.1(2) no
Ag9 O32 O31 . . . 97.30(17) no
Ag9 O32 O33 . . . 152.7(3) no
Ag9 O32 O34 . . . 97.82(18) no
Ag17 O32 Ag19 . . . 100.19(19) no
Ag17 O32 Si3 . . . 118.9(2) no
Ag17 O32 O31 . . . 96.74(18) no
Ag17 O32 O33 . . . 99.90(18) no
Ag17 O32 O34 . . . 153.6(3) no
Ag19 O32 Si3 . . . 114.5(2) no
Ag19 O32 O31 . . . 149.0(2) no
Ag19 O32 O33 . . . 92.72(15) no
Ag19 O32 O34 . . . 97.76(17) no
O31 O32 O33 . . . 58.66(17) no
O31 O32 O34 . . . 58.96(18) no
O33 O32 O34 . . . 59.85(18) no
Ag2 O33 Ag14 . . 4_554 101.38(16) no
Ag2 O33 Ag18 . . . 116.5(2) no
Ag2 O33 Si3 . . . 121.1(2) no
Ag2 O33 O31 . . . 156.0(2) no
Ag2 O33 O32 . . . 105.5(2) no
Ag2 O33 O34 . . . 96.58(17) no
Ag14 O33 Ag18 4_554 . . 92.65(16) no
Ag14 O33 Si3 4_554 . . 114.2(3) no
Ag14 O33 O31 4_554 . . 98.50(17) no
Ag14 O33 O32 4_554 . . 90.5(2) no
Ag14 O33 O34 4_554 . . 149.0(2) no
Ag18 O33 Si3 . . . 107.4(2) no
Ag18 O33 O31 . . . 75.69(17) no
Ag18 O33 O32 . . . 136.27(17) no
Ag18 O33 O34 . . . 101.7(2) no
O31 O33 O32 . . . 60.72(17) no
O31 O33 O34 . . . 59.74(14) no
O32 O33 O34 . . . 60.17(18) no
Ag8 O34 Ag9 . . 3_756 140.1(2) no
Ag8 O34 Ag10 . . 3_656 83.44(13) no
Ag8 O34 Ag12 . . 1_655 76.25(14) no
Ag8 O34 Si3 . . . 103.8(2) no
Ag8 O34 O31 . . . 103.7(2) no
Ag8 O34 O32 . . . 130.29(17) no
Ag8 O34 O33 . . . 71.41(15) no
Ag9 O34 Ag10 3_756 . 3_656 99.07(18) no
Ag9 O34 Ag12 3_756 . 1_655 80.88(12) no
Ag9 O34 Si3 3_756 . . 109.7(2) no
Ag9 O34 O31 3_756 . . 91.58(15) no
Ag9 O34 O32 3_756 . . 89.31(19) no
Ag9 O34 O33 3_756 . . 144.6(2) no
Ag10 O34 Ag12 3_656 . 1_655 146.4(2) no
Ag10 O34 Si3 3_656 . . 117.6(2) no
Ag10 O34 O31 3_656 . . 153.6(3) no
Ag10 O34 O32 3_656 . . 95.3(2) no
Ag10 O34 O33 3_656 . . 100.79(16) no
Ag12 O34 Si3 1_655 . . 93.32(18) no
Ag12 O34 O31 1_655 . . 59.02(14) no
Ag12 O34 O32 1_655 . . 118.18(16) no
Ag12 O34 O33 1_655 . . 97.70(17) no
O31 O34 O32 . . . 60.48(18) no
O31 O34 O33 . . . 59.20(14) no
O32 O34 O33 . . . 59.99(18) no
O41 Si4 O42 . . . 107.3(2) yes
O41 Si4 O43 . . . 110.2(2) yes
O41 Si4 O44 . . . 109.3(2) yes
O42 Si4 O43 . . . 111.1(3) yes
O42 Si4 O44 . . . 108.2(2) yes
O43 Si4 O44 . . . 110.6(3) yes
Ag6 O41 Ag15 . . 1_554 117.2(2) no
Ag6 O41 Ag16 . . 4_554 103.30(16) no
Ag6 O41 Si4 . . . 120.1(2) no
Ag6 O41 O42 . . . 153.8(2) no
Ag6 O41 O43 . . . 106.3(2) no
Ag6 O41 O44 . . . 93.84(17) no
Ag15 O41 Ag16 1_554 . 4_554 94.90(16) no
Ag15 O41 Si4 1_554 . . 105.3(2) no
Ag15 O41 O42 1_554 . . 73.38(16) no
Ag15 O41 O43 1_554 . . 134.19(16) no
Ag15 O41 O44 1_554 . . 101.3(2) no
Ag16 O41 Si4 4_554 . . 113.3(2) no
Ag16 O41 O42 4_554 . . 99.33(17) no
Ag16 O41 O43 4_554 . . 88.3(2) no
Ag16 O41 O44 4_554 . . 147.8(2) no
O42 O41 O43 . . . 61.05(17) no
O42 O41 O44 . . . 59.99(14) no
O43 O41 O44 . . . 60.49(19) no
Ag1 O42 Ag7 4_554 . 1_454 104.98(16) no
Ag1 O42 Ag15 4_554 . 1_554 73.11(13) no
Ag1 O42 Si4 4_554 . . 123.3(2) no
Ag1 O42 O41 4_554 . . 94.23(16) no
Ag1 O42 O43 4_554 . . 111.0(2) no
Ag1 O42 O44 4_554 . . 154.83(19) no
Ag7 O42 Ag15 1_454 . 1_554 142.6(2) no
Ag7 O42 Si4 1_454 . . 124.1(2) no
Ag7 O42 O41 1_454 . . 159.9(2) no
Ag7 O42 O43 1_454 . . 105.9(2) no
Ag7 O42 O44 1_454 . . 100.19(17) no
Ag15 O42 Si4 1_554 . . 82.26(17) no
Ag15 O42 O41 1_554 . . 49.22(13) no
Ag15 O42 O43 1_554 . . 109.57(14) no
Ag15 O42 O44 1_554 . . 87.16(16) no
O41 O42 O43 . . . 60.49(17) no
O41 O42 O44 . . . 60.71(15) no
O43 O42 O44 . . . 60.54(19) no
Ag8 O43 Ag12 1_455 . . 103.8(2) no
Ag8 O43 Ag18 1_455 . 1_455 91.86(18) no
Ag8 O43 Si4 1_455 . . 115.9(2) no
Ag8 O43 O41 1_455 . . 150.7(3) no
Ag8 O43 O42 1_455 . . 97.24(17) no
Ag8 O43 O44 1_455 . . 94.97(19) no
Ag12 O43 Ag18 . . 1_455 107.1(2) no
Ag12 O43 Si4 . . . 116.7(2) no
Ag12 O43 O41 . . . 94.80(16) no
Ag12 O43 O42 . . . 150.8(2) no
Ag12 O43 O44 . . . 98.86(18) no
Ag18 O43 Si4 1_455 . . 118.1(2) no
Ag18 O43 O41 1_455 . . 104.26(19) no
Ag18 O43 O42 1_455 . . 92.16(17) no
Ag18 O43 O44 1_455 . . 150.7(2) no
O41 O43 O42 . . . 58.46(17) no
O41 O43 O44 . . . 59.43(18) no
O42 O43 O44 . . . 58.78(18) no
Ag3 O44 Ag8 3_656 . 3_655 100.57(19) no
Ag3 O44 Ag10 3_656 . 1_554 139.0(2) no
Ag3 O44 Ag11 3_656 . . 81.21(14) no
Ag3 O44 Si4 3_656 . . 115.9(3) no
Ag3 O44 O41 3_656 . . 98.16(16) no
Ag3 O44 O42 3_656 . . 151.7(3) no
Ag3 O44 O43 3_656 . . 94.1(2) no
Ag8 O44 Ag10 3_655 . 1_554 81.78(14) no
Ag8 O44 Ag11 3_655 . . 135.5(2) no
Ag8 O44 Si4 3_655 . . 112.7(3) no
Ag8 O44 O41 3_655 . . 148.0(2) no
Ag8 O44 O42 3_655 . . 93.74(16) no
Ag8 O44 O43 3_655 . . 92.7(2) no
Ag10 O44 Ag11 1_554 . . 70.05(15) no
Ag10 O44 Si4 1_554 . . 100.1(2) no
Ag10 O44 O41 1_554 . . 100.54(19) no
Ag10 O44 O42 1_554 . . 67.01(16) no
Ag10 O44 O43 1_554 . . 126.89(17) no
Ag11 O44 Si4 . . . 105.8(2) no
Ag11 O44 O41 . . . 72.93(16) no
Ag11 O44 O42 . . . 105.3(2) no
Ag11 O44 O43 . . . 131.64(17) no
O41 O44 O42 . . . 59.30(14) no
O41 O44 O43 . . . 60.08(18) no
O42 O44 O43 . . . 60.68(19) no
Ag6 Cl1 Ag12 . . . 75.34(5) no
Ag6 Cl1 Ag15 . . 4_554 131.76(8) no
Ag6 Cl1 Ag16 . . 4_554 71.06(5) no
Ag6 Cl1 Ag20 . . . 77.33(5) no
Ag12 Cl1 Ag15 . . 4_554 143.82(8) no
Ag12 Cl1 Ag16 . . 4_554 96.46(5) no
Ag12 Cl1 Ag20 . . . 65.91(4) no
Ag15 Cl1 Ag16 4_554 . 4_554 76.24(5) no
Ag15 Cl1 Ag20 4_554 . . 134.52(7) no
Ag16 Cl1 Ag20 4_554 . . 146.98(8) no
Ag16 Cl2 Ag18 . . 4_455 81.10(6) no
Ag2 Cl3 Ag13 . . 4_554 125.89(8) no
Ag2 Cl3 Ag15 . . 1_554 108.99(6) no
Ag2 Cl3 Ag19 . . . 73.87(5) no
Ag13 Cl3 Ag15 4_554 . 1_554 70.77(4) no
Ag13 Cl3 Ag19 4_554 . . 149.07(8) no
Ag15 Cl3 Ag19 1_554 . . 129.76(6) no
Ag14 Cl4 Ag17 . . 4_555 74.53(6) no
Ag14 Cl4 Ag18 . . 1_556 122.40(7) no
Ag17 Cl4 Ag18 4_555 . 1_556 69.46(4) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 O31 . 1_455 2.113(4) yes
Ag1 O42 . 4_555 2.099(4) yes
Ag2 O21 . 1_554 2.127(4) yes
Ag2 O33 . . 2.137(4) yes
Ag2 Cl3 . . 2.988(2) no
Ag3 O12 . . 2.171(4) yes
Ag3 O21 . . 2.645(6) no
Ag3 O44 . 3_656 2.154(4) yes
Ag4 O14 . . 2.130(4) yes
Ag4 O24 . 4_554 2.128(4) yes
Ag5 O22 . . 2.103(4) yes
Ag5 O31 . 1_455 2.114(4) yes
Ag6 O11 . . 2.128(4) yes
Ag6 O41 . . 2.141(3) yes
Ag6 Cl1 . . 2.978(2) no
Ag7 O13 . . 2.127(4) yes
Ag7 O42 . 1_656 2.126(4) yes
Ag8 Ag8 . 3_755 2.9870(10) no
Ag8 O34 . . 2.743(5) no
Ag8 O43 . 1_655 2.143(4) yes
Ag8 O44 . 3_655 2.140(4) yes
Ag9 Ag9 . 3_756 2.9490(9) no
Ag9 O13 . . 2.492(6) no
Ag9 O32 . . 2.169(4) yes
Ag9 O34 . 3_756 2.196(4) yes
Ag10 O23 . . 2.180(4) yes
Ag10 O34 . 3_656 2.154(4) yes
Ag10 O44 . 1_556 2.821(5) no
Ag11 O21 . 3_656 2.155(5) yes
Ag11 O23 . 1_554 2.206(4) yes
Ag11 O44 . . 2.781(6) no
Ag12 O13 . 3_656 2.240(4) yes
Ag12 O31 . 1_455 2.738(5) no
Ag12 O34 . 1_455 2.902(5) no
Ag12 O43 . . 2.288(4) yes
Ag12 Cl1 . . 2.7705(17) yes
Ag13 O12 . . 2.229(5) yes
Ag13 O24 . . 2.312(6) yes
Ag13 Cl3 . 4_555 2.5749(18) yes
Ag14 O14 . . 2.290(4) yes
Ag14 O33 . 4_555 2.273(4) yes
Ag14 Cl4 . . 2.575(2) yes
Ag15 O23 . . 2.299(5) yes
Ag15 O41 . 1_556 2.364(5) yes
Ag15 O42 . 1_556 2.992(5) no
Ag15 Cl1 . 4_555 2.4944(18) yes
Ag15 Cl3 . 1_556 2.9651(16) no
Ag16 O24 . . 2.311(4) yes
Ag16 O41 . 4_555 2.276(5) yes
Ag16 Cl1 . 4_555 2.9853(19) no
Ag16 Cl2 . . 2.540(2) yes
Ag17 O14 . . 2.324(6) yes
Ag17 O32 . . 2.215(5) yes
Ag17 Cl4 . 4_554 2.5316(18) yes
Ag18 O33 . . 2.350(5) yes
Ag18 O43 . 1_655 2.290(5) yes
Ag18 Cl2 . 4_654 2.4720(19) yes
Ag18 Cl4 . 1_554 2.9256(17) no
Ag19 O11 . . 2.505(6) no
Ag19 O22 . 3_656 2.236(4) yes
Ag19 O32 . . 2.328(4) yes
Ag19 Cl3 . . 2.6215(17) yes
Ag20 O11 . 3_656 2.209(4) yes
Ag20 O12 . . 2.253(4) yes
Ag20 O22 . . 2.495(6) no
Ag20 Cl1 . . 2.8419(18) yes
Si1 O11 . . 1.633(4) yes
Si1 O12 . . 1.628(6) yes
Si1 O13 . . 1.631(4) yes
Si1 O14 . . 1.633(5) yes
O11 O12 . . 2.673(7) no
O11 O13 . . 2.656(5) no
O11 O14 . . 2.678(6) no
O12 O13 . . 2.660(8) no
O12 O14 . . 2.646(8) no
O13 O14 . . 2.669(6) no
Si2 O21 . . 1.618(5) yes
Si2 O22 . . 1.643(4) yes
Si2 O23 . . 1.633(6) yes
Si2 O24 . . 1.629(5) yes
O21 O22 . . 2.614(5) no
O21 O23 . . 2.692(8) no
O21 O24 . . 2.670(6) no
O22 O23 . . 2.668(7) no
O22 O24 . . 2.682(6) no
O23 O24 . . 2.650(8) no
Si3 O31 . . 1.631(4) yes
Si3 O32 . . 1.623(6) yes
Si3 O33 . . 1.625(4) yes
Si3 O34 . . 1.637(5) yes
O31 O32 . . 2.677(7) no
O31 O33 . . 2.621(5) no
O31 O34 . . 2.636(6) no
O32 O33 . . 2.674(7) no
O32 O34 . . 2.679(8) no
O33 O34 . . 2.671(6) no
Si4 O41 . . 1.633(4) yes
Si4 O42 . . 1.632(4) yes
Si4 O43 . . 1.642(6) yes
Si4 O44 . . 1.638(5) yes
O41 O42 . . 2.630(5) no
O41 O43 . . 2.686(7) no
O41 O44 . . 2.668(6) no
O42 O43 . . 2.700(7) no
O42 O44 . . 2.649(6) no
O43 O44 . . 2.697(8) no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?
