data_vc2054-phuralumite-4
_audit_creation_date              2016-04-14
_audit_creation_method
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_chemical_name_common             ?
_chemical_name_systematic
;
 ? 
;
_chemical_formula_moiety          'Al2 O21 P2 U3, 6.5(O)'
_chemical_formula_sum             'H20 Al2 O27 P2 U3'
_chemical_formula_weight          1282.15
_chemical_melting_point           ?
_chemical_oxdiff_formula          'Al2 H20 O27 P2 U3'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Al' 'Al' 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'U' 'U' -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system       'monoclinic'
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 1 21/n 1'
_space_group_name_Hall            '-P 2yn'
loop_
  _space_group_symop_id
  _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x+1/2, y+1/2, -z+1/2'
 3 '-x, -y, -z'
 4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                    9.4423(5)
_cell_length_b                    20.8723(9)
_cell_length_c                    13.4307(6)
_cell_angle_alpha                 90.00
_cell_angle_beta                  107.862(5)
_cell_angle_gamma                 90.00
_cell_volume                      2519.3(2)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     3002
_cell_measurement_temperature     293(2)
_cell_measurement_theta_max       27.2110
_cell_measurement_theta_min       2.3410
_exptl_absorpt_coefficient_mu     19.540
_exptl_absorpt_correction_T_max   0.438
_exptl_absorpt_correction_T_min   0.176
_exptl_absorpt_correction_type    analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour             ?
_exptl_crystal_density_diffrn     3.380
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_description        ?
_exptl_crystal_F_000              2272
loop_
  _exptl_crystal_face_index_h
  _exptl_crystal_face_index_k
  _exptl_crystal_face_index_l
  _exptl_crystal_face_perp_dist
 -2 25 10 0.0545
 12 -3 -14 0.0334
 -10 17 -1 0.0592
 12 -8 -10 0.0476
 10 3 -16 0.0337
 -13 -4 2 0.0286
 -8 -22 -1 0.0566
 5 -7 14 0.0726
 -8 -7 -10 0.0473
 1 -20 12 0.0744
 -6 11 17 0.0493
 -11 2 14 0.0338
 -7 19 13 0.0508
 12 9 -12 0.0228
 -12 -7 10 0.0306
 8 23 0 0.0537
 0 -4 -18 0.0556
 1 -9 17 0.0710
 2 -26 -9 0.0720
 13 10 -6 0.0329

_exptl_crystal_size_max           0.157
_exptl_crystal_size_mid           0.127
_exptl_crystal_size_min           0.06
loop_
  _exptl_oxdiff_crystal_face_indexfrac_h
  _exptl_oxdiff_crystal_face_indexfrac_k
  _exptl_oxdiff_crystal_face_indexfrac_l
  _exptl_oxdiff_crystal_face_x
  _exptl_oxdiff_crystal_face_y
  _exptl_oxdiff_crystal_face_z
 -1.9660 25.0105 9.9433 -0.6405 0.7582 0.1199
 11.9547 -3.0355 -14.0849 -0.3444 -0.9445 0.2180
 -10.0611 16.9997 -0.8949 0.2390 0.6960 0.6705
 11.9863 -8.0259 -10.0951 -0.3200 -0.9227 -0.0596
 9.9279 2.9599 -16.0598 -0.3152 -0.8094 0.4841
 -13.0313 -3.9835 2.1613 0.8109 0.5625 0.1988
 -8.0145 -21.9862 -0.8615 0.9731 -0.0321 -0.1738
 5.1189 -6.9748 13.8853 -0.4388 0.0272 -0.9010
 -8.0895 -7.0093 -9.8441 0.8365 -0.0199 0.5266
 1.1037 -19.9700 11.9643 0.1233 -0.0607 -0.9621
 -5.9203 11.0329 16.9838 -0.2476 0.8877 -0.3587
 -10.9499 2.0351 14.0738 0.3073 0.8838 -0.2665
 -6.9587 19.0229 13.0021 -0.2785 0.9593 0.0078
 11.9559 8.9634 -12.1118 -0.6490 -0.6958 0.3721
 -11.9713 -6.9680 10.1177 0.6477 0.6767 -0.2434
 8.0069 22.9839 -0.1356 -0.9738 0.0226 0.2381
 -0.1158 -4.0325 -17.9142 0.4694 -0.5330 0.7140
 1.1260 -8.9650 16.9255 -0.2231 0.2495 -0.9607
 1.9736 -26.0082 -8.9462 0.6411 -0.7486 -0.1843
 12.9986 9.9735 -6.1526 -0.8570 -0.5680 0.0990

_exptl_special_details
;
 ? 
;
_diffrn_reflns_av_R_equivalents   0.1071
_diffrn_reflns_av_unetI/netI      0.1266
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_h_min        -12
_diffrn_reflns_limit_k_max        27
_diffrn_reflns_limit_k_min        -28
_diffrn_reflns_limit_l_max        17
_diffrn_reflns_limit_l_min        -17
_diffrn_reflns_number             22883
_diffrn_reflns_theta_full         28.86
_diffrn_reflns_theta_max          28.86
_diffrn_reflns_theta_min          1.95
_diffrn_ambient_temperature       293(2)
_diffrn_detector                  'CCD plate'
_diffrn_detector_area_resol_mean  32.0175
_diffrn_detector_type             Eos
_diffrn_measured_fraction_theta_full 0.9994
_diffrn_measured_fraction_theta_max 0.9089
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -61.00  38.00   1.00   85.17    --  -17.07  19.00 -30.00   99
  2  ω    -89.00 -57.00   1.00   85.17    --  -17.07 -37.00 120.00   32
  3  ω    -23.00   2.00   1.00   85.17    --  -17.07 -99.00 150.00   25
  4  ω    -24.00  16.00   1.00   85.17    --  -17.07 -99.00 -90.00   40
  5  ω    -24.00  23.00   1.00   85.17    --  -17.07 -99.00  60.00   47
  6  ω    -80.00 -50.00   1.00   85.17    --  -17.07-178.00 -30.00   30
  7  ω    -92.00 -41.00   1.00   85.17    --  -17.07-178.00 -90.00   51
  8  ω    -54.00 -28.00   1.00   85.17    --  -17.07 -37.00 120.00   26
  9  ω    -90.00 -20.00   1.00   85.17    --  -17.07 -37.00 150.00   70
 10  ω     67.00  92.00   1.00   85.17    --   19.10 178.00 -60.00   25
;
_diffrn_measurement_device        'four-circle diffractometer'
_diffrn_measurement_device_type   'Xcalibur, Eos'
_diffrn_measurement_method        'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11       -0.0589795000
_diffrn_orient_matrix_UB_12       -0.0219438000
_diffrn_orient_matrix_UB_13       -0.0208800000
_diffrn_orient_matrix_UB_21       -0.0438082000
_diffrn_orient_matrix_UB_22       0.0163989000
_diffrn_orient_matrix_UB_23       0.0263431000
_diffrn_orient_matrix_UB_31       -0.0287303000
_diffrn_orient_matrix_UB_32       0.0201087000
_diffrn_orient_matrix_UB_33       -0.0441988000
_diffrn_radiation_monochromator   graphite
_diffrn_radiation_probe           x-ray
_diffrn_radiation_type            'Mo K\a'
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'fine-focus sealed X-ray tube'
_diffrn_source_type               'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%         ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_number          ?
_reflns_number_gt                 3937
_reflns_number_total              6007
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      26.32
_reflns_threshold_expression      >2sigma(I)
_computing_cell_refinement        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction         'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution     'A short history of SHELX (Sheldrick, 2007)'
_refine_diff_density_max          3.397
_refine_diff_density_min          -3.942
_refine_diff_density_rms          0.523
_refine_ls_extinction_coef        ?
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.042
_refine_ls_hydrogen_treatment     mixed
_refine_ls_matrix_type            full
_refine_ls_number_parameters      299
_refine_ls_number_reflns          6007
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1152
_refine_ls_R_factor_gt            0.0665
_refine_ls_restrained_S_all       1.042
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0653P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1414
_refine_ls_wR_factor_ref          0.1674
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_symmetry_multiplicity
  _atom_site_calc_flag
  _atom_site_refinement_flags
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 U1 U 1.23165(7) 0.72722(3) -0.14525(5) 0.01675(18) Uani 1 1 d . . .
 U2 U 0.90875(8) 0.71905(3) -0.03195(5) 0.01719(18) Uani 1 1 d . . .
 U3 U 0.32888(8) 0.73972(3) 0.17251(5) 0.01790(19) Uani 1 1 d . . .
 P1 P 0.5865(5) 0.7574(2) 0.0598(3) 0.0170(10) Uani 1 1 d . . .
 P2 P 0.0592(5) 0.7190(2) 0.2719(3) 0.0180(10) Uani 1 1 d . . .
 O2 O 1.2502(15) 0.6450(5) -0.1666(9) 0.027(3) Uani 1 1 d . . .
 O13 O 0.2052(15) 0.7560(6) 0.3134(9) 0.026(3) Uani 1 1 d . . .
 O10 O 0.1721(13) 0.6959(5) 0.0099(9) 0.020(3) Uani 1 1 d . . .
 O8 O 0.9814(14) 0.7200(5) -0.1803(9) 0.023(3) Uiso 1 1 d . . .
 O7 O 0.0452(15) 0.7105(6) 0.1555(9) 0.028(3) Uani 1 1 d . . .
 Al2 Al 0.1632(7) 0.4902(3) 0.5483(5) 0.0297(15) Uani 1 1 d . . .
 Al1 Al 0.0525(7) 0.6121(3) 0.4333(4) 0.0265(14) Uani 1 1 d . . .
 O3 O 0.9379(15) 0.8027(6) -0.0164(10) 0.027(3) Uani 1 1 d . . .
 O11 O 0.4370(14) 0.7249(5) 0.0126(9) 0.021(3) Uiso 1 1 d . . .
 O12 O -0.0695(15) 0.7576(5) 0.2868(9) 0.026(3) Uani 1 1 d . . .
 O5 O 0.3758(14) 0.6599(6) 0.2139(9) 0.028(3) Uani 1 1 d . . .
 O1 O 1.2226(13) 0.8096(6) -0.1215(9) 0.028(3) Uani 1 1 d . . .
 O9 O 0.5985(14) 0.7561(6) 0.1767(9) 0.025(3) Uani 1 1 d . . .
 O6 O 0.2776(15) 0.8172(6) 0.1226(10) 0.030(3) Uani 1 1 d . . .
 O4 O 0.8767(14) 0.6366(6) -0.0459(8) 0.024(3) Uani 1 1 d . . .
 O15 O 0.7108(15) 0.7223(6) 0.0386(9) 0.028(3) Uani 1 1 d . . .
 O14 O 0.0738(15) 0.6531(6) 0.3214(9) 0.027(3) Uani 1 1 d . . .
 O16 O 0.0781(15) 0.6741(5) 0.5256(9) 0.030(3) Uani 1 1 d . . .
 O17 O 0.1176(15) 0.4279(5) 0.6326(10) 0.028(3) Uani 1 1 d . . .
 O18 O 0.1987(15) 0.5555(5) 0.4625(9) 0.030(3) Uani 1 1 d . . .
 O21 O -0.0047(15) 0.4523(6) 0.4480(10) 0.035(4) Uani 1 1 d . . .
 O19 O 0.3073(15) 0.5243(6) 0.6661(10) 0.034(3) Uani 1 1 d . . .
 O20 O 0.3064(16) 0.4355(6) 0.5140(11) 0.038(4) Uani 1 1 d . . .
 O23 O 0.5504(16) 0.3691(6) 0.3298(12) 0.042(4) Uani 1 1 d . . .
 O24 O 0.5909(18) 0.4428(8) 0.6347(12) 0.057(5) Uani 1 1 d . . .
 O25 O 0.199(2) 0.5625(8) 0.0377(14) 0.077(6) Uani 1 1 d . . .
 O22 O 0.970(2) 0.5728(7) 0.7429(12) 0.066(6) Uani 1 1 d . . .
 O26 O 0.692(3) 0.5507(13) 0.762(2) 0.044(8) Uiso 0.50 1 d P . .
 O27 O 0.741(4) 0.6045(13) 0.161(2) 0.046(8) Uiso 0.50 1 d P . .
 O29 O 0.562(5) 0.5845(19) 0.951(3) 0.085(12) Uiso 0.50 1 d P . .
 O28 O 0.536(5) 0.529(2) 0.156(3) 0.108(15) Uiso 0.50 1 d P . .
 O30 O 0.970(4) 0.5313(16) 0.131(3) 0.065(10) Uiso 0.50 1 d P . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 U1 U2 3.8062(10) . ?
 U1 U3 4.0891(9) 1_655 ?
 U1 U3 3.9013(9) 4_675 ?
 U1 O2 1.758(12) . ?
 U1 O10 2.410(12) 1_655 ?
 U1 O8 2.268(13) . ?
 U1 O11 2.395(11) 1_655 ?
 U1 O12 2.347(14) 4_775 ?
 U1 O1 1.755(13) . ?
 U1 O9 2.361(11) 4_675 ?
 U2 U3 3.9024(9) 4_675 ?
 U2 U3 4.0964(9) 1_655 ?
 U2 O13 2.415(11) 4_675 ?
 U2 O10 2.424(12) 1_655 ?
 U2 O8 2.298(13) . ?
 U2 O7 2.457(12) 1_655 ?
 U2 O3 1.771(12) . ?
 U2 O4 1.747(12) . ?
 U2 O15 2.341(15) . ?
 U3 U1 3.9013(9) 4_576 ?
 U3 U2 3.9024(9) 4_576 ?
 U3 P1 3.256(5) . ?
 U3 P2 3.246(5) . ?
 U3 O13 2.532(13) . ?
 U3 O10 2.411(11) . ?
 U3 O8 2.222(11) 4_576 ?
 U3 O7 2.688(14) . ?
 U3 O11 2.664(13) . ?
 U3 O5 1.770(12) . ?
 U3 O9 2.552(13) . ?
 U3 O6 1.761(13) . ?
 P1 O11 1.518(13) . ?
 P1 O9 1.539(12) . ?
 P1 O15 1.484(15) . ?
 P1 O16 1.497(12) 4_675 ?
 P2 O13 1.528(13) . ?
 P2 O7 1.539(12) . ?
 P2 O12 1.522(15) . ?
 P2 O14 1.515(12) . ?
 O13 U2 2.415(11) 4_576 ?
 O10 U1 2.410(12) 1_455 ?
 O10 U2 2.424(12) 1_455 ?
 O8 U3 2.222(11) 4_675 ?
 O7 U2 2.457(12) 1_455 ?
 Al2 Al2 2.983(13) 3_566 ?
 Al2 Al1 2.995(8) . ?
 Al2 O17 1.858(13) . ?
 Al2 O18 1.881(14) . ?
 Al2 O21 1.909(14) . ?
 Al2 O21 1.931(15) 3_566 ?
 Al2 O19 1.882(14) . ?
 Al2 O20 1.931(15) . ?
 Al1 O14 1.794(13) . ?
 Al1 O16 1.756(12) . ?
 Al1 O17 1.787(14) 3_566 ?
 Al1 O18 1.768(14) . ?
 Al1 O21 2.235(15) 3_566 ?
 O11 U1 2.395(11) 1_455 ?
 O12 U1 2.347(14) 4_476 ?
 O9 U1 2.361(11) 4_576 ?
 O16 P1 1.497(12) 4_576 ?
 O17 Al1 1.787(14) 3_566 ?
 O21 Al2 1.931(15) 3_566 ?
 O21 Al1 2.235(15) 3_566 ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 U2 U1 U3 60.822(17) . 4_675 ?
 U2 U1 U3 62.387(17) . 1_655 ?
 U3 U1 U3 120.47(2) 4_675 1_655 ?
 O2 U1 U2 98.8(4) . . ?
 O2 U1 U3 101.4(4) . 4_675 ?
 O2 U1 U3 103.4(4) . 1_655 ?
 O2 U1 O10 86.4(5) . 1_655 ?
 O2 U1 O8 92.9(5) . . ?
 O2 U1 O11 91.8(5) . 1_655 ?
 O2 U1 O12 86.4(5) . 4_775 ?
 O2 U1 O9 91.6(5) . 4_675 ?
 O10 U1 U2 38.2(3) 1_655 . ?
 O10 U1 U3 98.6(3) 1_655 4_675 ?
 O10 U1 U3 32.0(3) 1_655 1_655 ?
 O8 U1 U2 33.8(3) . . ?
 O8 U1 U3 96.2(3) . 1_655 ?
 O8 U1 U3 29.4(3) . 4_675 ?
 O8 U1 O10 69.9(4) . 1_655 ?
 O8 U1 O11 133.8(4) . 1_655 ?
 O8 U1 O12 146.6(4) . 4_775 ?
 O8 U1 O9 66.5(4) . 4_675 ?
 O11 U1 U2 100.1(3) 1_655 . ?
 O11 U1 U3 38.4(3) 1_655 1_655 ?
 O11 U1 U3 158.1(3) 1_655 4_675 ?
 O11 U1 O10 64.5(4) 1_655 1_655 ?
 O12 U1 U2 174.8(3) 4_775 . ?
 O12 U1 U3 118.3(3) 4_775 4_675 ?
 O12 U1 U3 116.5(3) 4_775 1_655 ?
 O12 U1 O10 143.1(4) 4_775 1_655 ?
 O12 U1 O11 79.6(4) 4_775 1_655 ?
 O12 U1 O9 80.1(4) 4_775 4_675 ?
 O1 U1 U2 83.2(4) . . ?
 O1 U1 U3 75.9(4) . 1_655 ?
 O1 U1 U3 81.3(4) . 4_675 ?
 O1 U1 O2 177.2(6) . . ?
 O1 U1 O10 94.1(5) . 1_655 ?
 O1 U1 O8 89.8(5) . . ?
 O1 U1 O11 86.0(4) . 1_655 ?
 O1 U1 O12 91.6(5) . 4_775 ?
 O1 U1 O9 89.9(5) . 4_675 ?
 O9 U1 U2 99.7(3) 4_675 . ?
 O9 U1 U3 157.9(3) 4_675 1_655 ?
 O9 U1 U3 39.2(3) 4_675 4_675 ?
 O9 U1 O10 136.3(4) 4_675 1_655 ?
 O9 U1 O11 159.1(4) 4_675 1_655 ?
 U1 U2 U3 60.794(17) . 4_675 ?
 U1 U2 U3 62.194(17) . 1_655 ?
 U3 U2 U3 120.26(3) 4_675 1_655 ?
 O13 U2 U1 99.8(3) 4_675 . ?
 O13 U2 U3 39.0(3) 4_675 4_675 ?
 O13 U2 U3 154.9(3) 4_675 1_655 ?
 O13 U2 O10 137.0(4) 4_675 1_655 ?
 O13 U2 O7 157.8(4) 4_675 1_655 ?
 O10 U2 U1 37.9(3) 1_655 . ?
 O10 U2 U3 98.3(3) 1_655 4_675 ?
 O10 U2 U3 32.0(3) 1_655 1_655 ?
 O10 U2 O7 64.5(4) 1_655 1_655 ?
 O8 U2 U1 33.3(3) . . ?
 O8 U2 U3 29.8(3) . 4_675 ?
 O8 U2 U3 95.5(3) . 1_655 ?
 O8 U2 O13 67.8(4) . 4_675 ?
 O8 U2 O10 69.2(4) . 1_655 ?
 O8 U2 O7 133.4(4) . 1_655 ?
 O8 U2 O15 147.0(4) . . ?
 O7 U2 U1 100.4(3) 1_655 . ?
 O7 U2 U3 159.2(3) 1_655 4_675 ?
 O7 U2 U3 39.2(3) 1_655 1_655 ?
 O3 U2 U1 83.6(4) . . ?
 O3 U2 U3 82.9(4) . 4_675 ?
 O3 U2 U3 74.5(4) . 1_655 ?
 O3 U2 O13 86.7(5) . 4_675 ?
 O3 U2 O10 93.3(5) . 1_655 ?
 O3 U2 O8 91.0(5) . . ?
 O3 U2 O7 86.4(5) . 1_655 ?
 O3 U2 O15 92.2(5) . . ?
 O4 U2 U1 97.8(4) . . ?
 O4 U2 U3 97.8(4) . 4_675 ?
 O4 U2 U3 106.0(4) . 1_655 ?
 O4 U2 O13 93.1(5) . 4_675 ?
 O4 U2 O10 87.7(5) . 1_655 ?
 O4 U2 O8 90.2(5) . . ?
 O4 U2 O7 93.3(5) . 1_655 ?
 O4 U2 O3 178.6(6) . . ?
 O4 U2 O15 86.4(5) . . ?
 O15 U2 U1 175.8(3) . . ?
 O15 U2 U3 117.1(3) . 1_655 ?
 O15 U2 U3 118.4(3) . 4_675 ?
 O15 U2 O13 79.5(4) . 4_675 ?
 O15 U2 O10 143.3(4) . 1_655 ?
 O15 U2 O7 79.7(4) . 1_655 ?
 U1 U3 U2 58.384(17) 4_576 4_576 ?
 P1 U3 U1 63.13(7) . 4_576 ?
 P1 U3 U2 120.59(8) . 4_576 ?
 P2 U3 U1 120.14(8) . 4_576 ?
 P2 U3 U2 62.76(8) . 4_576 ?
 P2 U3 P1 176.65(11) . . ?
 O13 U3 U1 95.3(3) . 4_576 ?
 O13 U3 U2 36.9(3) . 4_576 ?
 O13 U3 P1 156.0(3) . . ?
 O13 U3 P2 27.3(3) . . ?
 O13 U3 O7 54.4(4) . . ?
 O13 U3 O11 175.2(4) . . ?
 O13 U3 O9 130.6(4) . . ?
 O10 U3 U1 147.7(3) . 4_576 ?
 O10 U3 U2 151.4(3) . 4_576 ?
 O10 U3 P1 87.8(3) . . ?
 O10 U3 P2 88.9(3) . . ?
 O10 U3 O13 115.6(4) . . ?
 O10 U3 O7 61.2(4) . . ?
 O10 U3 O11 60.4(4) . . ?
 O10 U3 O9 113.7(4) . . ?
 O8 U3 U1 30.0(3) 4_576 4_576 ?
 O8 U3 U2 30.9(3) 4_576 4_576 ?
 O8 U3 P1 89.9(4) 4_576 . ?
 O8 U3 P2 93.5(4) 4_576 . ?
 O8 U3 O13 66.8(4) 4_576 . ?
 O8 U3 O10 177.6(5) 4_576 . ?
 O8 U3 O7 121.2(4) 4_576 . ?
 O8 U3 O11 117.2(4) 4_576 . ?
 O8 U3 O9 63.9(4) 4_576 . ?
 O7 U3 U1 148.0(3) . 4_576 ?
 O7 U3 U2 90.8(2) . 4_576 ?
 O7 U3 P1 148.6(3) . . ?
 O7 U3 P2 28.1(3) . . ?
 O11 U3 U1 89.2(3) . 4_576 ?
 O11 U3 U2 147.5(3) . 4_576 ?
 O11 U3 P1 27.5(3) . . ?
 O11 U3 P2 149.2(3) . . ?
 O11 U3 O7 121.6(4) . . ?
 O5 U3 U1 82.4(4) . 4_576 ?
 O5 U3 U2 86.4(4) . 4_576 ?
 O5 U3 P1 95.9(5) . . ?
 O5 U3 P2 84.1(5) . . ?
 O5 U3 O13 91.2(5) . . ?
 O5 U3 O10 87.3(5) . . ?
 O5 U3 O8 92.6(5) . 4_576 ?
 O5 U3 O7 87.7(5) . . ?
 O5 U3 O11 91.3(5) . . ?
 O5 U3 O9 88.1(5) . . ?
 O9 U3 U1 35.8(2) . 4_576 ?
 O9 U3 U2 93.9(3) . 4_576 ?
 O9 U3 P1 27.5(3) . . ?
 O9 U3 P2 155.7(3) . . ?
 O9 U3 O7 173.6(4) . . ?
 O9 U3 O11 53.6(4) . . ?
 O6 U3 U1 100.2(4) . 4_576 ?
 O6 U3 U2 97.4(4) . 4_576 ?
 O6 U3 P1 82.9(5) . . ?
 O6 U3 P2 96.9(5) . . ?
 O6 U3 O13 91.4(5) . . ?
 O6 U3 O10 89.0(5) . . ?
 O6 U3 O8 91.1(5) . 4_576 ?
 O6 U3 O7 91.5(5) . . ?
 O6 U3 O11 85.9(5) . . ?
 O6 U3 O5 176.1(5) . . ?
 O6 U3 O9 92.4(5) . . ?
 O11 P1 U3 54.0(5) . . ?
 O11 P1 O9 100.7(7) . . ?
 O9 P1 U3 49.9(5) . . ?
 O15 P1 U3 141.4(6) . . ?
 O15 P1 O11 112.8(7) . . ?
 O15 P1 O9 111.9(7) . . ?
 O15 P1 O16 112.5(8) . 4_675 ?
 O16 P1 U3 105.9(6) 4_675 . ?
 O16 P1 O11 110.1(7) 4_675 . ?
 O16 P1 O9 108.1(7) 4_675 . ?
 O13 P2 U3 49.4(5) . . ?
 O13 P2 O7 102.4(7) . . ?
 O7 P2 U3 55.3(5) . . ?
 O12 P2 U3 137.9(5) . . ?
 O12 P2 O13 110.6(7) . . ?
 O12 P2 O7 111.7(7) . . ?
 O14 P2 U3 108.9(6) . . ?
 O14 P2 O13 110.4(7) . . ?
 O14 P2 O7 108.0(7) . . ?
 O14 P2 O12 113.1(7) . . ?
 U2 O13 U3 104.1(5) 4_576 . ?
 P2 O13 U2 144.4(7) . 4_576 ?
 P2 O13 U3 103.4(6) . . ?
 U1 O10 U2 103.9(4) 1_455 1_455 ?
 U1 O10 U3 116.0(5) 1_455 . ?
 U3 O10 U2 115.9(5) . 1_455 ?
 U1 O8 U2 112.9(5) . . ?
 U3 O8 U1 120.6(6) 4_675 . ?
 U3 O8 U2 119.4(6) 4_675 . ?
 U2 O7 U3 105.4(5) 1_455 . ?
 P2 O7 U2 152.6(8) . 1_455 ?
 P2 O7 U3 96.6(6) . . ?
 Al2 Al2 Al1 60.5(2) 3_566 . ?
 O17 Al2 Al2 87.7(5) . 3_566 ?
 O17 Al2 Al1 143.0(5) . . ?
 O17 Al2 O18 176.7(7) . . ?
 O17 Al2 O21 81.0(6) . . ?
 O17 Al2 O21 95.3(7) . 3_566 ?
 O17 Al2 O19 89.7(6) . . ?
 O17 Al2 O20 92.4(6) . . ?
 O18 Al2 Al2 89.3(5) . 3_566 ?
 O18 Al2 Al1 33.6(5) . . ?
 O18 Al2 O21 81.4(6) . 3_566 ?
 O18 Al2 O21 97.6(6) . . ?
 O18 Al2 O19 91.3(6) . . ?
 O18 Al2 O20 90.7(7) . . ?
 O21 Al2 Al2 39.3(4) . 3_566 ?
 O21 Al2 Al2 38.8(4) 3_566 3_566 ?
 O21 Al2 Al1 84.5(4) . . ?
 O21 Al2 Al1 48.2(4) 3_566 . ?
 O21 Al2 O21 78.1(6) . 3_566 ?
 O21 Al2 O20 94.4(6) . . ?
 O19 Al2 Al2 134.3(6) . 3_566 ?
 O19 Al2 Al1 99.2(4) . . ?
 O19 Al2 O21 96.3(6) . 3_566 ?
 O19 Al2 O21 168.6(8) . . ?
 O19 Al2 O20 92.6(7) . . ?
 O20 Al2 Al2 133.1(5) . 3_566 ?
 O20 Al2 Al1 122.6(5) . . ?
 O20 Al2 O21 168.2(7) . 3_566 ?
 O14 Al1 Al2 136.6(5) . . ?
 O14 Al1 O21 169.7(6) . 3_566 ?
 O16 Al1 Al2 108.1(5) . . ?
 O16 Al1 O14 102.4(6) . . ?
 O16 Al1 O17 127.1(7) . 3_566 ?
 O16 Al1 O18 114.0(6) . . ?
 O16 Al1 O21 87.4(6) . 3_566 ?
 O17 Al1 Al2 88.6(4) 3_566 . ?
 O17 Al1 O14 97.0(6) 3_566 . ?
 O17 Al1 O21 74.0(5) 3_566 3_566 ?
 O18 Al1 Al2 36.1(5) . . ?
 O18 Al1 O14 102.9(7) . . ?
 O18 Al1 O17 108.6(6) . 3_566 ?
 O18 Al1 O21 75.8(6) . 3_566 ?
 O21 Al1 Al2 40.1(4) 3_566 . ?
 U1 O11 U3 107.7(5) 1_455 . ?
 P1 O11 U1 139.2(7) . 1_455 ?
 P1 O11 U3 98.5(6) . . ?
 P2 O12 U1 152.7(7) . 4_476 ?
 U1 O9 U3 105.1(5) 4_576 . ?
 P1 O9 U1 151.6(8) . 4_576 ?
 P1 O9 U3 102.6(6) . . ?
 P1 O15 U2 150.3(8) . . ?
 P2 O14 Al1 141.4(8) . . ?
 P1 O16 Al1 154.6(9) 4_576 . ?
 Al1 O17 Al2 111.5(7) 3_566 . ?
 Al1 O18 Al2 110.3(8) . . ?
 Al2 O21 Al2 101.9(6) . 3_566 ?
 Al2 O21 Al1 92.9(6) . 3_566 ?
 Al2 O21 Al1 91.6(6) 3_566 3_566 ?

_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.522
_oxdiff_exptl_absorpt_empirical_full_min 0.784
