#=======================================================================
data_global

_audit_update_record
;
2017-10-02 # Formatted by publCIF
;
#=======================================================================

_audit_creation_method                   'Jana2006 Version : 26/09/2017'


# 1. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic            ?
_journal_date_to_coeditor                ?
_journal_date_from_coeditor              ?
_journal_date_accepted                   ?
_journal_date_printers_first             ?
_journal_date_printers_final             ?
_journal_date_proofs_out                 ?
_journal_date_proofs_in                  ?
_journal_coeditor_name                   ?
_journal_coeditor_code                   ?
_journal_coeditor_notes
?
_journal_techeditor_code                 ?
_journal_paper_category                  ?
_journal_techeditor_notes
?
_journal_coden_ASTM                      ?
_journal_name_full                       'Acta Crystallographica Section C'
_journal_year                            ?
_journal_volume                          ?
_journal_issue                           ?
_journal_page_first                      ?
_journal_page_last                       ?
_journal_suppl_publ_number               ?
_journal_suppl_publ_pages                ?

#=======================================================================

# 2. SUBMISSION DETAILS

_publ_contact_author_name                ?
_publ_contact_author_address
?
_publ_contact_author_email               ?
_publ_contact_author_fax                 ?
_publ_contact_author_phone               ?

_publ_requested_journal                  ?
_publ_requested_category                 ?

_publ_contact_letter
?

#=======================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
;
Title (type here to add)
;



_publ_section_title_footnote
.
loop_
 _publ_author_name
 _publ_author_footnote
 _publ_author_address
; ?      # name
;
; ?      # footnote
;
; ?      # address
;

#=======================================================================

# 4. TEXT

_publ_section_synopsis
.
_publ_section_abstract
;
(type here to add abstract)
;

_publ_section_comment
;
(type here to add)
;

_publ_section_introduction
?
_publ_section_experimental
?
_publ_section_exptl_prep
;
(type here to add preparation details)
;

_publ_section_exptl_refinement
;
(type here to add refinement details)
;

_publ_section_exptl_solution
?
_publ_section_discussion
?
_publ_section_acknowledgements
;
(type here to add acknowledgements)
;

_publ_section_references
;
Petricek, V., Dusek, M. & Palatinus, L. (2006). Jana2006. Structure
Determination Software Programs. Institute of Physics, Praha, Czech Republic.

# enable this reference if Diamond ver. 2 was used for visualization
#Palatinus, L. & Chapuis, G. (2007). J. Appl. Cryst. 40, 786-790.

# enable this reference if Diamond ver. 2 was used for visualization
#Brandenburg, K. (1999). DIAMOND. Version. 2.1c. #Crystal Impact GbR,
Bonn, Germany.

# enable this reference if Diamond ver. 3 was used for visualization
#Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3. #Crystal Impact
GbR, Postfach 1251, D-53002 Bonn, Germany.

# enable this reference if SIR97 was used for solving of the structure
#Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
#Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997).
#SIR97. A Package for Crystal Structure Solution by Direct Methods #and
Refinement, Bari, Rome, Italy.

# use this reference if SIR2002 was used for solving of the structure
#Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
#Polidori, G., Spagna, R. #SIR2002: the program, J. Appl. Cryst,
(2003). 36, 1103

# enable this reference if bond valences were calculated #Brown, I. D. (1996).
J. Appl. Cryst. 29, 479-480.

# enable this reference if X-SHAPE wase used for crystal shape
refinement #Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.

# enable this reference if Flack coefficient was refined #Flack, H. D. (1983).
Acta Cryst. A39, 876-881.
;
_publ_section_figure_captions
;

;

_publ_section_table_legends
?

#=======================================================================
data_I


_atom_sites_solution_secondary   difmap
#Added by publCIF




_atom_sites_solution_primary   'SHELXT'
#Added by publCIF




_refine_ls_matrix_type   full
#Added by publCIF


#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
?
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    
'Al1 As0.617 H24 O37.5 P2.383 Pb1 U5'
_chemical_formula_weight                 2169.9
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting                   triclinic
_symmetry_space_group_name_H-M           'P -1'
_symmetry_space_group_name_Hall          '-P 1'
_symmetry_Int_Tables_number              2

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -x,-y,-z

_cell_length_a                           9.0296(8)
_cell_length_b                           10.9557(8)
_cell_length_c                           15.8249(15)
_cell_angle_alpha                        89.585(7)
_cell_angle_beta                         85.349(8)
_cell_angle_gamma                        84.251(7)
_cell_volume                             1552.5(2)

loop_
 _twin_individual_id
 _twin_individual_mass_fraction_refined
 _twin_individual_twin_matrix_11
 _twin_individual_twin_matrix_12
 _twin_individual_twin_matrix_13
 _twin_individual_twin_matrix_21
 _twin_individual_twin_matrix_22
 _twin_individual_twin_matrix_23
 _twin_individual_twin_matrix_31
 _twin_individual_twin_matrix_32
 _twin_individual_twin_matrix_33
1 0.647(5)
1 0 0
0 1 0
0 0 1
2 0.353(5)
-1 0 -0.2814
0 -1 0.006
0 0 1

_cell_formula_units_Z                    2

_cell_measurement_reflns_used            3246
_cell_measurement_theta_min              3.73
_cell_measurement_theta_max              28.85
_cell_measurement_temperature            295(2)
_cell_special_details
?

_exptl_crystal_density_diffrn            4.6389
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     1822

_exptl_absorpt_coefficient_mu            32.324
_exptl_crystal_description               prism
_exptl_crystal_size_max                  0.054
_exptl_crystal_size_mid                  0.014
_exptl_crystal_size_min                  0.008
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    yellow
_exptl_absorpt_correction_type           sphere
_exptl_absorpt_process_details
 'Jana2006'
_exptl_absorpt_correction_T_min          0.0219
_exptl_absorpt_correction_T_max          0.0459
loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
 ? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              295
_diffrn_source                           'micro-focus sealed X-ray tube'
_diffrn_source_power                     ?
_diffrn_source_voltage                   ?
_diffrn_source_current                   ?
_diffrn_radiation_type                   'Mo K\a'
_diffrn_radiation_source                 'X-ray tube'
_diffrn_radiation_wavelength             0.71073
_diffrn_radiation_monochromator          'mirror'
_diffrn_measurement_device               'four-circle diffractometer'
_diffrn_measurement_device_type          'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_detector                         'CCD plate'
_diffrn_detector_area_resol_mean         10.4054
_diffrn_measurement_method               'ω scans'
_diffrn_measurement_specimen_support     ?

_diffrn_reflns_number                    11435
_diffrn_reflns_theta_min                 3.42
_diffrn_reflns_theta_max                 29.58
_diffrn_reflns_theta_full                26.62
_diffrn_measured_fraction_theta_max      0.8
_diffrn_measured_fraction_theta_full     0.97
_diffrn_reflns_av_R_equivalents          0.0762
_diffrn_reflns_av_unetI/netI             0.1164
_diffrn_reflns_limit_h_min               -11
_diffrn_reflns_limit_h_max               11
_diffrn_reflns_limit_k_min               -13
_diffrn_reflns_limit_k_max               12
_diffrn_reflns_limit_l_min               -14
_diffrn_reflns_limit_l_max               20
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?

_diffrn_radiation_probe                  x-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details
?

_reflns_number_total                     4721
_reflns_number_gt                        2697
_reflns_threshold_expression             'I>3σ(I)'

_refine_ls_structure_factor_coef         Fsqd
_refine_ls_R_factor_gt                   0.1074
_refine_ls_wR_factor_gt                  0.2538
_refine_ls_R_factor_all                  0.1511
_refine_ls_wR_factor_ref                 0.2751
_refine_ls_goodness_of_fit_ref           1.48
_refine_ls_goodness_of_fit_gt            1.81
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 4721
_refine_ls_number_parameters             226
_refine_ls_number_restraints             10
_refine_ls_number_constraints            8
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(I)+0.0081000002I²)'
_refine_ls_hydrogen_treatment            constr
_refine_ls_shift/su_max                  0.0331
_refine_ls_shift/su_mean                 0.0010
_refine_diff_density_max                 12.25
_refine_diff_density_min                 -6.22
_refine_ls_extinction_method             'none'
_refine_ls_extinction_coef               ?
_refine_ls_abs_structure_details         ?
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Al   0.0645  0.0514
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 As   0.0499  2.0058
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 H    0.0000  0.0000
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 O    0.0106  0.0060
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 P    0.1023  0.0942
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Pb  -3.3944 10.1111
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 U   -9.6767  9.6646
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection
 'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_cell_refinement
 'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction
 'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_solution            ?
_computing_structure_refinement          ?
_computing_molecular_graphics            ?
_computing_publication_material          ?

loop_
 _restr_distance_atom_site_label_1
 _restr_distance_site_symmetry_1
 _restr_distance_atom_site_label_2
 _restr_distance_site_symmetry_2
 _restr_distance_target
 _restr_distance_target_weight_param
U5 . O22 . 1.78 0.01
U5 . O18 . 1.78 0.01
U4 . O11 . 1.8 0.01
U4 . O12 . 1.8 0.01
U3 . O23 . 1.8 0.01
U3 . O17 . 1.8 0.01
U1 . O10 . 1.78 0.01
U1 . O19 . 1.78 0.01
U5 . O37 . 2.45 0.01
P3 . O37 . 1.6 0.02

#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

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_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  U1 U -0.0348(2) 0.39109(16) 0.26031(12) Uani 0.0171(6) 2 1 d . . .
  U2 U 0.5529(2) 0.51275(17) 0.28474(12) Uani 0.0177(6) 2 1 d . . .
  U3 U 1.1353(2) -0.01012(17) 0.28366(12) Uani 0.0170(6) 2 1 d . . .
  U4 U 0.7277(2) 0.10699(16) 0.25876(12) Uani 0.0169(6) 2 1 d . . .
  U5 U -0.1524(2) 0.75100(17) 0.24676(12) Uani 0.0187(6) 2 1 d . . .
  Pb1 Pb 0.7225(3) 0.8886(2) 0.50280(17) Uani 0.0364(8) 2 1 d . . .
  As1 As 0.3473(8) 0.2498(6) 0.2752(4) Uiso 0.014(2) 2 0.62(4) d . . .
  P1 P 0.3473(8) 0.2498(6) 0.2752(4) Uiso 0.014(2) 2 0.38(4) d . . .
  O1 O 0.900(4) -0.047(3) 0.266(2) Uiso 0.017(3) 2 1 d . . .
  O2 O 0.588(4) 0.721(3) 0.244(2) Uiso 0.017(3) 2 1 d . . .
  P2 P 0.5033(15) 0.8479(11) 0.2154(8) Uiso 0.016(3) 2 1 d . . .
  O3 O 0.721(5) 0.327(3) 0.299(2) Uiso 0.030(9) 2 1 d . . .
  P3 P 0.2009(15) 0.6552(11) 0.2176(8) Uiso 0.016(3) 2 1 d . . .
  O4 O 0.790(4) 0.556(3) 0.258(2) Uiso 0.014(7) 2 1 d . . .
  Al1 Al 0.377(2) 0.7491(15) 0.0476(11) Uani 0.028(5) 2 1 d . . .
  O5 O 0.704(6) 0.670(4) 0.514(3) Uiso 0.041(11) 2 1 d . . .
  O6 O 0.215(4) 0.310(3) 0.219(2) Uiso 0.023(8) 2 1 d . . .
  O7 O 0.642(4) -0.077(3) 0.214(2) Uiso 0.017(3) 2 1 d . . .
  O8 O 0.393(4) 0.362(3) 0.334(2) Uiso 0.017(3) 2 1 d . . .
  O9 O 0.390(4) 0.888(3) 0.280(2) Uiso 0.017(7) 2 1 d . . .
  O10 O -0.070(4) 0.365(3) 0.1534(11) Uiso 0.019(7) 2 1 d . . .
  O11 O 0.787(5) 0.144(3) 0.1516(12) Uiso 0.034(10) 2 1 d . . .
  O12 O 0.664(4) 0.074(3) 0.3657(11) Uiso 0.024(8) 2 1 d . . .
  O13 O 0.540(5) 0.624(3) 0.044(2) Uiso 0.025(8) 2 1 d . . .
  O14 O 0.556(4) 0.553(3) 0.397(2) Uiso 0.018(7) 2 1 d . . .
  O15 O 0.196(6) 0.862(4) 0.042(3) Uiso 0.040(11) 2 1 d . . .
  O16 O 0.995(6) 0.814(4) 0.513(3) Uiso 0.040(11) 2 1 d . . .
  O17 O 1.167(4) 0.031(3) 0.1748(10) Uiso 0.015(7) 2 1 d . . .
  O18 O -0.182(5) 0.760(4) 0.3600(9) Uiso 0.036(10) 2 1 d . . .
  O19 O 0.000(4) 0.406(3) 0.3686(11) Uiso 0.020(7) 2 1 d . . .
  O20 O 0.491(4) 0.186(3) 0.212(2) Uiso 0.017(3) 2 1 d . . .
  O21 O 0.266(7) 0.662(5) 0.140(3) Uiso 0.063(15) 2 1 d . . .
  O22 O -0.135(6) 0.744(4) 0.1341(9) Uiso 0.039(10) 2 1 d . . .
  O23 O 1.103(4) -0.042(3) 0.3952(9) Uiso 0.017(7) 2 1 d . . .
  O24 O 0.546(4) 0.458(3) 0.179(2) Uiso 0.015(7) 2 1 d . . .
  O25 O 0.652(5) 0.312(3) 0.477(2) Uiso 0.032(9) 2 1 d . . .
  O26 O 0.786(4) 0.110(3) 0.493(2) Uiso 0.018(7) 2 1 d . . .
  O27 O 0.286(5) 0.662(3) -0.038(2) Uiso 0.033(10) 2 1 d . . .
  O28 O 0.272(4) 0.151(3) 0.343(2) Uiso 0.016(7) 2 1 d . . .
  O29 O 0.446(6) 0.837(4) 0.131(3) Uiso 0.048(12) 2 1 d . . .
  O30 O 0.483(6) 0.843(4) -0.041(3) Uiso 0.048(12) 2 1 d . . .
  O31 O 0.228(8) 1.104(5) 0.008(4) Uiso 0.069(16) 2 1 d . . .
  O32 O 0.872(6) 0.392(4) 0.569(3) Uiso 0.043(11) 2 1 d . . .
  O33 O 0.303(5) 0.616(4) 0.285(3) Uiso 0.034(10) 2 1 d . . .
  O34 O 0.074(6) 0.577(4) 0.224(3) Uiso 0.043(11) 2 1 d . . .
  O35 O 0.773(9) 0.667(6) -0.046(4) Uiso 0.022(16) 2 0.5 d . . .
  O36 O 0.961(4) 0.170(3) 0.303(2) Uiso 0.021(8) 2 1 d . . .
  O37 O 0.1140(17) 0.782(3) 0.250(3) Uiso 0.053(13) 2 1 d . . .
  O38 O 0.548(6) 0.117(4) 0.548(3) Uiso 0.044(11) 2 1 d . . .


#=======================================================================

# 10. MOLECULAR GEOMETRY


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
  U1 O3 . 1_455 2.41(4) ?
  U1 O4 . 1_455 2.28(3) ?
  U1 O6 . . 2.38(3) ?
  U1 O10 . . 1.783(19) ?
  U1 O19 . . 1.785(19) ?
  U1 O34 . . 2.39(5) ?
  U1 O36 . 1_455 2.51(3) ?
  U2 O2 . . 2.41(3) ?
  U2 O3 . . 2.43(4) ?
  U2 O4 . . 2.25(4) ?
  U2 O8 . . 2.39(4) ?
  U2 O14 . . 1.84(3) ?
  U2 O24 . . 1.79(3) ?
  U2 O33 . . 2.42(4) ?
  U3 O1 . . 2.24(4) ?
  U3 O9 . 1_645 2.45(3) ?
  U3 O17 . . 1.783(18) ?
  U3 O23 . . 1.802(16) ?
  U3 O28 . 1_655 2.48(4) ?
  U3 O36 . . 2.40(3) ?
  U3 O37 . 1_645 2.37(3) ?
  U4 O1 . . 2.19(3) ?
  U4 O3 . . 2.49(3) ?
  U4 O7 . . 2.36(3) ?
  U4 O11 . . 1.79(2) ?
  U4 O12 . . 1.793(19) ?
  U4 O20 . . 2.40(4) ?
  U4 O36 . . 2.44(4) ?
  U5 O1 . 1_465 2.34(3) ?
  U5 O2 . 1_455 2.40(4) ?
  U5 O4 . 1_455 2.25(3) ?
  U5 O7 . 1_465 2.59(3) ?
  U5 O18 . . 1.792(15) ?
  U5 O22 . . 1.779(14) ?
  U5 O34 . . 2.66(5) ?
  U5 O37 . . 2.47(2) ?
  Pb1 O5 . . 2.42(4) ?
  Pb1 O12 . 1_565 3.00(3) ?
  Pb1 O16 . . 2.53(5) ?
  Pb1 O18 . 1_655 2.71(3) ?
  Pb1 O23 . 2_766 2.98(3) ?
  Pb1 O26 . 1_565 2.55(3) ?
  Pb1 O28 . 2_666 2.48(3) ?
  Pb1 O38 . 1_565 2.88(4) ?
  Pb1 O38 . 2_666 2.64(5) ?
  As1 P1 . . 0 ?
  As1 O6 . . 1.63(4) ?
  As1 O8 . . 1.65(3) ?
  As1 O20 . . 1.67(3) ?
  As1 O28 . . 1.67(3) ?
  P1 O6 . . 1.63(4) ?
  P1 O8 . . 1.65(3) ?
  P1 O20 . . 1.67(3) ?
  P1 O28 . . 1.67(3) ?
  O1 O7 . . 2.58(5) ?
  O1 O11 . . 2.91(4) ?
  O1 O12 . . 2.78(4) ?
  O1 O17 . . 2.91(5) ?
  O1 O18 . 1_645 2.71(5) ?
  O1 O22 . 1_645 3.17(5) ?
  O1 O23 . . 2.86(4) ?
  O1 O36 . . 2.58(5) ?
  O1 O37 . 1_645 2.55(4) ?
  O2 P2 . . 1.60(3) ?
  O2 O4 . . 2.46(5) ?
  O2 O7 . 1_565 2.35(5) ?
  O2 O9 . . 2.46(5) ?
  O2 O14 . . 3.04(5) ?
  O2 O18 . 1_655 2.94(5) ?
  O2 O22 . 1_655 2.96(6) ?
  O2 O24 . . 3.14(5) ?
  O2 O29 . . 2.54(6) ?
  O2 O33 . . 2.95(6) ?
  P2 O7 . 1_565 1.57(4) ?
  P2 O9 . . 1.42(3) ?
  P2 O29 . . 1.48(5) ?
  O3 O4 . . 2.71(5) ?
  O3 O8 . . 2.96(6) ?
  O3 O10 . 1_655 2.92(4) ?
  O3 O11 . . 3.06(4) ?
  O3 O12 . . 3.04(5) ?
  O3 O14 . . 3.11(5) ?
  O3 O19 . 1_655 3.04(6) ?
  O3 O20 . . 3.12(6) ?
  O3 O24 . . 2.86(5) ?
  O3 O25 . . 2.84(4) ?
  O3 O36 . . 2.63(5) ?
  P3 O21 . . 1.32(5) ?
  P3 O33 . . 1.50(5) ?
  P3 O34 . . 1.49(5) ?
  P3 O37 . . 1.59(3) ?
  O4 O10 . 1_655 2.81(4) ?
  O4 O14 . . 2.93(5) ?
  O4 O18 . 1_655 2.81(5) ?
  O4 O19 . 1_655 3.04(4) ?
  O4 O22 . 1_655 2.92(5) ?
  O4 O24 . . 2.92(5) ?
  O4 O34 . 1_655 2.61(6) ?
  Al1 O13 . . 1.90(4) ?
  Al1 O15 . . 1.96(5) ?
  Al1 O21 . . 1.99(6) ?
  Al1 O27 . . 1.95(4) ?
  Al1 O29 . . 1.82(5) ?
  Al1 O30 . . 1.98(5) ?
  O5 O8 . 2_666 2.53(6) ?
  O5 O14 . . 2.76(6) ?
  O5 O16 . . 3.20(8) ?
  O5 O18 . 1_655 2.78(5) ?
  O5 O25 . 2_666 3.19(7) ?
  O5 O28 . 2_666 3.04(6) ?
  O6 O8 . . 2.63(5) ?
  O6 O10 . . 2.86(5) ?
  O6 O19 . . 3.06(4) ?
  O6 O20 . . 2.71(5) ?
  O6 O28 . . 2.66(5) ?
  O6 O34 . . 3.07(5) ?
  O6 O35 . 2_665 2.74(7) ?
  O6 O36 . 1_455 3.09(5) ?
  O7 O9 . 1_545 2.49(5) ?
  O7 O11 . . 2.99(5) ?
  O7 O12 . . 2.96(4) ?
  O7 O20 . . 3.06(5) ?
  O7 O22 . 1_645 2.89(5) ?
  O7 O29 . 1_545 2.54(6) ?
  O8 O14 . . 2.90(5) ?
  O8 O20 . . 2.77(4) ?
  O8 O24 . . 2.96(5) ?
  O8 O28 . . 2.65(5) ?
  O8 O33 . . 2.94(5) ?
  O9 O17 . 1_465 3.02(4) ?
  O9 O23 . 1_465 3.08(4) ?
  O9 O28 . 1_565 3.11(5) ?
  O9 O29 . . 2.43(6) ?
  O9 O33 . . 3.16(6) ?
  O9 O37 . . 2.93(4) ?
  O9 O38 . 2_666 2.82(6) ?
  O10 O11 . 1_455 2.86(5) ?
  O10 O27 . 2_565 2.81(5) ?
  O10 O34 . . 3.04(6) ?
  O10 O35 . 2_665 3.04(8) ?
  O10 O36 . 1_455 3.19(4) ?
  O11 O15 . 2_665 3.06(5) ?
  O11 O20 . . 2.76(5) ?
  O11 O27 . 2_665 2.84(4) ?
  O11 O30 . 2_665 3.11(7) ?
  O11 O36 . . 2.99(5) ?
  O12 O20 . . 3.17(4) ?
  O12 O25 . . 3.14(4) ?
  O12 O26 . . 2.42(4) ?
  O12 O36 . . 3.07(5) ?
  O12 O38 . . 3.01(5) ?
  O12 O38 . 2_656 3.20(6) ?
  O13 O21 . . 2.79(7) ?
  O13 O24 . . 2.80(5) ?
  O13 O27 . . 2.72(6) ?
  O13 O29 . . 2.74(5) ?
  O13 O30 . . 2.77(6) ?
  O13 O35 . . 2.53(8) ?
  O14 O25 . . 3.00(5) ?
  O14 O25 . 2_666 2.93(5) ?
  O14 O33 . . 3.03(6) ?
  O15 O17 . 1_465 2.79(5) ?
  O15 O21 . . 2.73(7) ?
  O15 O27 . . 2.57(5) ?
  O15 O29 . . 2.75(8) ?
  O15 O30 . . 2.80(7) ?
  O15 O31 . . 2.74(7) ?
  O16 O18 . 1_655 3.10(6) ?
  O16 O19 . 2_666 3.04(5) ?
  O16 O23 . 1_565 2.62(5) ?
  O16 O23 . 2_766 2.92(5) ?
  O16 O26 . 2_766 2.22(7) ?
  O16 O28 . 2_666 3.18(6) ?
  O16 O32 . 2_766 2.73(6) ?
  O16 O36 . 2_766 2.98(6) ?
  O17 O29 . 1_645 3.16(6) ?
  O17 O31 . 1_645 2.78(6) ?
  O17 O36 . . 2.96(4) ?
  O17 O37 . 1_645 3.03(5) ?
  O18 O37 . . 3.10(5) ?
  O19 O32 . 2_666 2.81(6) ?
  O19 O34 . . 3.03(5) ?
  O19 O36 . 1_455 2.86(5) ?
  O20 O24 . . 3.10(5) ?
  O20 O28 . . 2.80(5) ?
  O20 O30 . 2_665 2.72(6) ?
  O21 O27 . . 2.81(6) ?
  O21 O29 . . 2.63(8) ?
  O21 O33 . . 2.39(7) ?
  O21 O34 . . 2.36(8) ?
  O21 O37 . . 2.43(6) ?
  O22 O31 . 2_575 2.92(7) ?
  O22 O34 . . 2.94(6) ?
  O22 O35 . 1_455 3.18(7) ?
  O22 O37 . . 3.08(6) ?
  O23 O26 . 2_756 2.19(4) ?
  O23 O28 . 1_655 2.81(5) ?
  O23 O36 . . 2.97(4) ?
  O23 O37 . 1_645 3.00(5) ?
  O24 O27 . 2_665 2.85(5) ?
  O24 O33 . . 3.05(5) ?
  O25 O26 . . 2.44(5) ?
  O25 O32 . . 2.77(7) ?
  O25 O38 . . 2.63(6) ?
  O26 O38 . . 2.25(6) ?
  O27 O30 . . 2.79(7) ?
  O28 O36 . 1_455 2.92(5) ?
  O29 O30 . . 2.72(7) ?
  O30 O31 . 2_675 2.82(9) ?
  O30 O35 . . 3.09(9) ?
  O31 O35 . 2_675 2.58(9) ?
  O32 O33 . 2_666 2.70(7) ?
  O33 O34 . . 2.43(7) ?
  O33 O37 . . 2.46(5) ?
  O34 O37 . . 2.35(6) ?

#=======================================================================

# 11. STRUCTURE-FACTOR LIST



