data_vc2055-aiguille-1
_audit_creation_date              2016-06-06
_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, 7(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                    9.4467(2)
_cell_length_b                    20.9023(6)
_cell_length_c                    13.4396(3)
_cell_angle_alpha                 90.00
_cell_angle_beta                  107.944(3)
_cell_angle_gamma                 90.00
_cell_volume                      2524.68(11)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     3715
_cell_measurement_temperature     293(2)
_cell_measurement_theta_max       28.8430
_cell_measurement_theta_min       2.4560
_exptl_absorpt_coefficient_mu     19.498
_exptl_absorpt_correction_T_max   0.714
_exptl_absorpt_correction_T_min   0.366
_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             'translucent intense yellow'
_exptl_crystal_density_diffrn     3.373
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_description        needle
_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
 -1 -20 14 0.0219
 13 4 -4 0.1154
 -1 29 2 0.0098
 1 -29 -2 0.0115
 1 -12 16 0.0180
 -13 -2 6 0.0722
 1 12 -17 0.0116
 1 26 8 0.0132
 -1 -26 -8 0.0165
 1 -17 -15 0.0148
 -2 17 16 0.0151

_exptl_crystal_size_max           0.191
_exptl_crystal_size_mid           0.036
_exptl_crystal_size_min           0.021
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
 -0.9962 -19.9372 13.9761 -0.7874 0.6088 0.1924
 12.9928 4.0010 -4.0249 -0.1726 -0.0737 -0.9715
 -0.9877 28.9892 1.9835 -0.0088 -0.9898 0.0043
 0.9877 -28.9892 -1.9835 0.0088 0.9898 -0.0043
 1.0073 -11.9315 15.9620 -0.9399 0.3369 0.0356
 -12.9906 -1.9946 6.0188 0.0674 -0.0026 0.9756
 0.9911 11.9306 -16.9646 0.9330 -0.3258 -0.1853
 1.0149 26.0163 7.9644 -0.4079 -0.9086 -0.1041
 -1.0149 -26.0163 -7.9644 0.4079 0.9086 0.1041
 0.9822 -17.0450 -14.9558 0.7528 0.6429 -0.0981
 -1.9810 17.0473 15.9558 -0.7768 -0.6507 0.1753

_exptl_special_details
;
 ? 
;
_diffrn_reflns_av_R_equivalents   0.0405
_diffrn_reflns_av_unetI/netI      0.0560
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_h_min        -12
_diffrn_reflns_limit_k_max        26
_diffrn_reflns_limit_k_min        -27
_diffrn_reflns_limit_l_max        17
_diffrn_reflns_limit_l_min        -17
_diffrn_reflns_number             13042
_diffrn_reflns_theta_full         28.88
_diffrn_reflns_theta_max          28.88
_diffrn_reflns_theta_min          2.33
_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 0.9992
_diffrn_measured_fraction_theta_max 0.8750
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -73.00 -11.00   1.00  150.00    --  -17.07 -37.00-120.00   62
  2  ω    -35.00  45.00   1.00  150.00    --  -17.07  57.00  30.00   80
  3  ω    -10.00  25.00   1.00  150.00    --  -17.07 -99.00 120.00   35
  4  ω    -50.00  23.00   1.00  150.00    --   19.10 -57.00-150.00   73
;
_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       -0.0310972000
_diffrn_orient_matrix_UB_12       0.0024081000
_diffrn_orient_matrix_UB_13       -0.0551187000
_diffrn_orient_matrix_UB_21       0.0033792000
_diffrn_orient_matrix_UB_22       -0.0337319000
_diffrn_orient_matrix_UB_23       -0.0043216000
_diffrn_orient_matrix_UB_31       -0.0724597000
_diffrn_orient_matrix_UB_32       -0.0026504000
_diffrn_orient_matrix_UB_33       0.0048237000
_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                 4665
_reflns_number_total              5793
_reflns_odcompleteness_completeness 99.92
_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          2.084
_refine_diff_density_min          -2.063
_refine_diff_density_rms          0.292
_refine_ls_extinction_coef        ?
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.025
_refine_ls_hydrogen_treatment     mixed
_refine_ls_matrix_type            full
_refine_ls_number_parameters      329
_refine_ls_number_reflns          5793
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0522
_refine_ls_R_factor_gt            0.0353
_refine_ls_restrained_S_all       1.025
_refine_ls_shift/su_max           0.002
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0318P)²+12.6525P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0768
_refine_ls_wR_factor_ref          0.0835
_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 0.26959(3) 0.727500(17) 1.14333(2) 0.01231(9) Uani 1 1 d . . .
 U2 U 0.59257(3) 0.718862(17) 1.03029(2) 0.01217(9) Uani 1 1 d . . .
 U3 U 1.17227(3) 0.739690(17) 0.82504(2) 0.01281(9) Uani 1 1 d . . .
 P2 P 1.4417(2) 0.71896(12) 0.72729(16) 0.0120(5) Uani 1 1 d . . .
 P1 P 0.9153(2) 0.75772(12) 0.93725(16) 0.0127(5) Uani 1 1 d . . .
 O1 O 0.2808(7) 0.8096(3) 1.1183(5) 0.0236(15) Uani 1 1 d . . .
 O2 O 0.2515(7) 0.6451(3) 1.1655(5) 0.0226(15) Uani 1 1 d . . .
 O3 O 0.5605(7) 0.8025(3) 1.0142(5) 0.0228(15) Uani 1 1 d . . .
 O4 O 0.6277(7) 0.6348(3) 1.0434(5) 0.0233(15) Uani 1 1 d . . .
 O5 O 1.2246(7) 0.8172(3) 0.8755(5) 0.0212(14) Uani 1 1 d . . .
 O6 O 1.1259(7) 0.6601(3) 0.7818(5) 0.0247(16) Uani 1 1 d . . .
 O8 O 1.0198(6) 0.7801(3) 0.6754(4) 0.0147(13) Uani 1 1 d . . .
 O7 O 1.4544(7) 0.7113(3) 0.8430(4) 0.0183(14) Uani 1 1 d . . .
 O10 O 1.3304(6) 0.6953(3) 0.9887(4) 0.0145(13) Uani 1 1 d . . .
 O13 O 1.2927(6) 0.7557(3) 0.6849(4) 0.0178(14) Uani 1 1 d . . .
 O12 O 1.5699(7) 0.7571(3) 0.7110(5) 0.0199(15) Uani 1 1 d . . .
 O9 O 0.9027(7) 0.7560(3) 0.8214(4) 0.0200(15) Uani 1 1 d . . .
 O15 O 0.7888(7) 0.7229(3) 0.9599(5) 0.0228(15) Uani 1 1 d . . .
 O11 O 1.0650(7) 0.7243(3) 0.9867(5) 0.0216(15) Uani 1 1 d . . .
 O14 O 1.4273(8) 0.6534(3) 0.6749(5) 0.0250(16) Uani 1 1 d . . .
 Al1 Al 1.4483(3) 0.61177(14) 0.5646(2) 0.0173(6) Uani 1 1 d . . .
 O16 O 0.9224(7) 0.8268(3) 0.9729(5) 0.0231(15) Uani 1 1 d . . .
 Al2 Al 1.6638(3) 0.50992(15) 0.5489(2) 0.0214(6) Uani 1 1 d . . .
 O18 O 1.3004(7) 0.5547(3) 0.5360(5) 0.0222(15) Uani 1 1 d . . .
 O21 O 1.4953(7) 0.5485(3) 0.4484(5) 0.0216(15) Uani 1 1 d . . .
 O17 O 1.6187(7) 0.5724(3) 0.6324(5) 0.0228(15) Uani 1 1 d . . .
 O19 O 1.8069(8) 0.4752(4) 0.6670(6) 0.0335(18) Uani 1 1 d . . .
 O20 O 1.8071(8) 0.5648(4) 0.5143(6) 0.0336(18) Uani 1 1 d . . .
 O24 O 1.0916(9) 0.5574(4) 0.6363(6) 0.044(2) Uani 1 1 d . . .
 O22 O 1.5294(10) 0.5730(4) 0.2594(6) 0.048(2) Uani 1 1 d . . .
 O25 O 1.2984(12) 0.5634(5) 0.9574(8) 0.067(3) Uani 1 1 d . . .
 O23 O 1.9472(9) 0.3685(4) 0.6713(6) 0.038(2) Uani 1 1 d . . .
 O26 O 1.8092(12) 0.5517(7) 0.2407(10) 0.108(5) Uani 1 1 d . . .
 O27 O 1.7558(18) 0.6052(7) 0.8355(11) 0.040(4) Uani 0.50 1 d P . .
 O29 O 1.4534(18) 0.4738(8) 0.1197(13) 0.046(4) Uiso 0.50 1 d P . .
 O28 O 1.982(2) 0.5272(10) 0.8498(14) 0.060(6) Uani 0.50 1 d P . .
 O30 O 1.950(2) 0.5874(9) 0.0518(18) 0.073(7) Uani 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 3.8086(4) . ?
 U1 U3 3.8962(4) 4_576 ?
 U1 U3 4.0970(4) 1_455 ?
 U1 O1 1.759(7) . ?
 U1 O2 1.765(7) . ?
 U1 O8 2.273(5) 4_576 ?
 U1 O10 2.416(6) 1_455 ?
 U1 O12 2.355(6) 4_476 ?
 U1 O9 2.360(6) 4_576 ?
 U1 O11 2.380(6) 1_455 ?
 U2 U3 3.8951(4) 4_576 ?
 U2 O3 1.777(7) . ?
 U2 O4 1.787(7) . ?
 U2 O8 2.260(5) 4_576 ?
 U2 O7 2.458(6) 1_455 ?
 U2 O10 2.416(6) 1_455 ?
 U2 O13 2.399(6) 4_576 ?
 U2 O15 2.328(6) . ?
 U3 U1 3.8962(4) 4_675 ?
 U3 U2 3.8951(4) 4_675 ?
 U3 P2 3.233(2) . ?
 U3 P1 3.250(2) . ?
 U3 O5 1.767(7) . ?
 U3 O6 1.773(7) . ?
 U3 O8 2.246(6) . ?
 U3 O7 2.668(6) . ?
 U3 O10 2.430(6) . ?
 U3 O13 2.505(6) . ?
 U3 O9 2.555(6) . ?
 U3 O11 2.685(6) . ?
 P2 O7 1.531(6) . ?
 P2 O13 1.549(6) . ?
 P2 O12 1.521(6) . ?
 P2 O14 1.527(7) . ?
 P1 O9 1.525(6) . ?
 P1 O15 1.508(7) . ?
 P1 O11 1.532(7) . ?
 P1 O16 1.516(7) . ?
 O8 U1 2.273(5) 4_675 ?
 O8 U2 2.260(5) 4_675 ?
 O7 U2 2.458(6) 1_655 ?
 O10 U1 2.416(6) 1_655 ?
 O10 U2 2.416(5) 1_655 ?
 O13 U2 2.399(6) 4_675 ?
 O12 U1 2.355(6) 4_775 ?
 O9 U1 2.360(6) 4_675 ?
 O11 U1 2.380(6) 1_655 ?
 O14 Al1 1.782(7) . ?
 Al1 O16 1.745(7) 4_675 ?
 Al1 Al2 2.988(4) 3_866 ?
 Al1 Al2 2.998(4) . ?
 Al1 O18 1.786(7) . ?
 Al1 O21 2.195(7) . ?
 Al1 O17 1.788(7) . ?
 O16 Al1 1.744(7) 4_576 ?
 Al2 Al1 2.988(4) 3_866 ?
 Al2 Al2 2.996(6) 3_866 ?
 Al2 O18 1.866(7) 3_866 ?
 Al2 O21 1.946(7) 3_866 ?
 Al2 O21 1.920(7) . ?
 Al2 O17 1.855(7) . ?
 Al2 O19 1.884(8) . ?
 Al2 O20 1.937(8) . ?
 O18 Al2 1.865(7) 3_866 ?
 O21 Al2 1.946(7) 3_866 ?

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 60.722(8) . 4_576 ?
 U2 U1 U3 62.363(8) . 1_455 ?
 U3 U1 U3 120.344(10) 4_576 1_455 ?
 O1 U1 U2 82.4(2) . . ?
 O1 U1 U3 81.0(2) . 4_576 ?
 O1 U1 U3 75.3(2) . 1_455 ?
 O1 U1 O2 177.9(3) . . ?
 O1 U1 O8 89.1(3) . 4_576 ?
 O1 U1 O10 93.6(3) . 1_455 ?
 O1 U1 O12 92.5(3) . 4_476 ?
 O1 U1 O9 90.4(3) . 4_576 ?
 O1 U1 O11 86.4(3) . 1_455 ?
 O2 U1 U2 98.7(2) . . ?
 O2 U1 U3 103.6(2) . 1_455 ?
 O2 U1 U3 101.1(2) . 4_576 ?
 O2 U1 O8 92.8(3) . 4_576 ?
 O2 U1 O10 86.2(2) . 1_455 ?
 O2 U1 O12 86.4(3) . 4_476 ?
 O2 U1 O9 91.2(3) . 4_576 ?
 O2 U1 O11 91.6(3) . 1_455 ?
 O8 U1 U2 32.72(14) 4_576 . ?
 O8 U1 U3 30.24(14) 4_576 4_576 ?
 O8 U1 U3 95.06(14) 4_576 1_455 ?
 O8 U1 O10 68.61(19) 4_576 1_455 ?
 O8 U1 O12 147.8(2) 4_576 4_476 ?
 O8 U1 O9 67.7(2) 4_576 4_576 ?
 O8 U1 O11 132.8(2) 4_576 1_455 ?
 O10 U1 U2 37.98(14) 1_455 . ?
 O10 U1 U3 98.24(13) 1_455 4_576 ?
 O10 U1 U3 32.37(14) 1_455 1_455 ?
 O12 U1 U2 174.82(17) 4_476 . ?
 O12 U1 U3 116.47(15) 4_476 1_455 ?
 O12 U1 U3 118.52(15) 4_476 4_576 ?
 O12 U1 O10 143.2(2) 4_476 1_455 ?
 O12 U1 O9 80.1(2) 4_476 4_576 ?
 O12 U1 O11 79.4(2) 4_476 1_455 ?
 O9 U1 U2 99.75(14) 4_576 . ?
 O9 U1 U3 158.04(15) 4_576 1_455 ?
 O9 U1 U3 39.34(14) 4_576 4_576 ?
 O9 U1 O10 136.0(2) 4_576 1_455 ?
 O9 U1 O11 159.1(2) 4_576 1_455 ?
 O11 U1 U2 100.26(15) 1_455 . ?
 O11 U1 U3 158.33(15) 1_455 4_576 ?
 O11 U1 U3 38.60(15) 1_455 1_455 ?
 O11 U1 O10 64.8(2) 1_455 1_455 ?
 U1 U2 U3 60.751(8) . 4_576 ?
 O3 U2 U1 82.8(2) . . ?
 O3 U2 U3 82.96(19) . 4_576 ?
 O3 U2 O4 178.2(3) . . ?
 O3 U2 O8 90.5(3) . 4_576 ?
 O3 U2 O7 85.5(3) . 1_455 ?
 O3 U2 O10 92.7(3) . 1_455 ?
 O3 U2 O13 86.9(3) . 4_576 ?
 O3 U2 O15 92.4(3) . . ?
 O4 U2 U1 98.9(2) . . ?
 O4 U2 U3 98.4(2) . 4_576 ?
 O4 U2 O8 91.2(3) . 4_576 ?
 O4 U2 O7 93.5(3) . 1_455 ?
 O4 U2 O10 88.2(3) . 1_455 ?
 O4 U2 O13 93.4(3) . 4_576 ?
 O4 U2 O15 85.9(3) . . ?
 O8 U2 U1 32.95(14) 4_576 . ?
 O8 U2 U3 30.08(15) 4_576 4_576 ?
 O8 U2 O7 132.7(2) 4_576 1_455 ?
 O8 U2 O10 68.8(2) 4_576 1_455 ?
 O8 U2 O13 67.55(19) 4_576 4_576 ?
 O8 U2 O15 147.4(2) 4_576 . ?
 O7 U2 U1 100.01(14) 1_455 . ?
 O7 U2 U3 158.63(14) 1_455 4_576 ?
 O10 U2 U1 37.98(13) 1_455 . ?
 O10 U2 U3 98.27(13) 1_455 4_576 ?
 O10 U2 O7 64.33(19) 1_455 1_455 ?
 O13 U2 U1 99.11(14) 4_576 . ?
 O13 U2 U3 38.36(13) 4_576 4_576 ?
 O13 U2 O7 158.4(2) 4_576 1_455 ?
 O13 U2 O10 136.37(19) 4_576 1_455 ?
 O15 U2 U1 175.17(17) . . ?
 O15 U2 U3 118.46(16) . 4_576 ?
 O15 U2 O7 79.9(2) . 1_455 ?
 O15 U2 O10 143.3(2) . 1_455 ?
 O15 U2 O13 80.2(2) . 4_576 ?
 U2 U3 U1 58.528(8) 4_675 4_675 ?
 P2 U3 U1 120.51(4) . 4_675 ?
 P2 U3 U2 63.01(4) . 4_675 ?
 P2 U3 P1 176.45(5) . . ?
 P1 U3 U1 62.99(4) . 4_675 ?
 P1 U3 U2 120.54(4) . 4_675 ?
 O5 U3 U1 100.5(2) . 4_675 ?
 O5 U3 U2 97.5(2) . 4_675 ?
 O5 U3 P2 96.7(2) . . ?
 O5 U3 P1 82.9(2) . . ?
 O5 U3 O6 176.6(3) . . ?
 O5 U3 O8 91.5(3) . . ?
 O5 U3 O7 90.9(2) . . ?
 O5 U3 O10 88.9(3) . . ?
 O5 U3 O13 91.6(3) . . ?
 O5 U3 O9 92.5(3) . . ?
 O5 U3 O11 86.0(2) . . ?
 O6 U3 U1 82.2(2) . 4_675 ?
 O6 U3 U2 85.7(2) . 4_675 ?
 O6 U3 P2 83.5(2) . . ?
 O6 U3 P1 96.7(2) . . ?
 O6 U3 O8 91.9(3) . . ?
 O6 U3 O7 87.7(2) . . ?
 O6 U3 O10 87.7(3) . . ?
 O6 U3 O13 90.2(2) . . ?
 O6 U3 O9 88.5(3) . . ?
 O6 U3 O11 92.1(2) . . ?
 O8 U3 U1 30.65(14) . 4_675 ?
 O8 U3 U2 30.28(13) . 4_675 ?
 O8 U3 P2 93.14(14) . . ?
 O8 U3 P1 90.40(14) . . ?
 O8 U3 O7 120.80(18) . . ?
 O8 U3 O10 178.17(18) . . ?
 O8 U3 O13 65.88(19) . . ?
 O8 U3 O9 64.66(18) . . ?
 O8 U3 O11 118.12(19) . . ?
 O7 U3 U1 148.33(12) . 4_675 ?
 O7 U3 U2 90.93(12) . 4_675 ?
 O7 U3 P2 28.04(13) . . ?
 O7 U3 P1 148.42(13) . . ?
 O7 U3 O11 121.05(18) . . ?
 O10 U3 U1 147.53(13) . 4_675 ?
 O10 U3 U2 151.38(13) . 4_675 ?
 O10 U3 P2 88.59(13) . . ?
 O10 U3 P1 87.87(13) . . ?
 O10 U3 O7 60.98(17) . . ?
 O10 U3 O13 115.90(18) . . ?
 O10 U3 O9 113.54(18) . . ?
 O10 U3 O11 60.12(18) . . ?
 O13 U3 U1 94.99(13) . 4_675 ?
 O13 U3 U2 36.46(13) . 4_675 ?
 O13 U3 P2 27.81(14) . . ?
 O13 U3 P1 155.58(14) . . ?
 O13 U3 O7 54.92(18) . . ?
 O13 U3 O9 130.44(18) . . ?
 O13 U3 O11 175.33(18) . . ?
 O9 U3 U1 35.85(12) . 4_675 ?
 O9 U3 U2 94.10(12) . 4_675 ?
 O9 U3 P2 156.19(13) . . ?
 O9 U3 P1 27.25(13) . . ?
 O9 U3 O7 173.48(19) . . ?
 O9 U3 O11 53.77(18) . . ?
 O11 U3 U1 89.38(13) . 4_675 ?
 O11 U3 U2 147.86(13) . 4_675 ?
 O11 U3 P2 148.61(14) . . ?
 O11 U3 P1 27.90(14) . . ?
 O7 P2 U3 55.0(2) . . ?
 O7 P2 O13 101.8(3) . . ?
 O13 P2 U3 49.0(2) . . ?
 O12 P2 U3 138.6(3) . . ?
 O12 P2 O7 112.6(4) . . ?
 O12 P2 O13 111.2(4) . . ?
 O12 P2 O14 111.4(4) . . ?
 O14 P2 U3 109.8(3) . . ?
 O14 P2 O7 110.0(4) . . ?
 O14 P2 O13 109.5(4) . . ?
 O9 P1 U3 50.1(2) . . ?
 O9 P1 O11 101.8(3) . . ?
 O15 P1 U3 142.1(3) . . ?
 O15 P1 O9 112.2(4) . . ?
 O15 P1 O11 112.1(4) . . ?
 O15 P1 O16 110.8(4) . . ?
 O11 P1 U3 55.1(2) . . ?
 O16 P1 U3 106.9(3) . . ?
 O16 P1 O9 109.1(4) . . ?
 O16 P1 O11 110.6(4) . . ?
 U2 O8 U1 114.3(2) 4_675 4_675 ?
 U3 O8 U1 119.1(2) . 4_675 ?
 U3 O8 U2 119.6(2) . 4_675 ?
 U2 O7 U3 106.2(2) 1_655 . ?
 P2 O7 U2 152.2(4) . 1_655 ?
 P2 O7 U3 96.9(3) . . ?
 U1 O10 U2 104.0(2) 1_655 1_655 ?
 U1 O10 U3 115.5(2) 1_655 . ?
 U2 O10 U3 115.6(2) 1_655 . ?
 U2 O13 U3 105.2(2) 4_675 . ?
 P2 O13 U2 144.4(4) . 4_675 ?
 P2 O13 U3 103.2(3) . . ?
 P2 O12 U1 153.6(4) . 4_775 ?
 U1 O9 U3 104.8(2) 4_675 . ?
 P1 O9 U1 151.8(4) . 4_675 ?
 P1 O9 U3 102.7(3) . . ?
 P1 O15 U2 151.6(4) . . ?
 U1 O11 U3 107.8(2) 1_655 . ?
 P1 O11 U1 139.5(4) . 1_655 ?
 P1 O11 U3 97.0(3) . . ?
 P2 O14 Al1 143.6(4) . . ?
 O14 Al1 Al2 136.7(3) . 3_866 ?
 O14 Al1 Al2 131.1(3) . . ?
 O14 Al1 O18 103.0(3) . . ?
 O14 Al1 O21 170.2(3) . . ?
 O14 Al1 O17 96.6(3) . . ?
 O16 Al1 O14 101.6(3) 4_675 . ?
 O16 Al1 Al2 108.4(3) 4_675 3_866 ?
 O16 Al1 Al2 115.0(2) 4_675 . ?
 O16 Al1 O18 114.1(3) 4_675 . ?
 O16 Al1 O21 87.4(3) 4_675 . ?
 O16 Al1 O17 127.4(3) 4_675 . ?
 Al2 Al1 Al2 60.07(11) 3_866 . ?
 O18 Al1 Al2 90.8(2) . . ?
 O18 Al1 Al2 36.0(2) . 3_866 ?
 O18 Al1 O21 76.1(3) . . ?
 O18 Al1 O17 108.9(3) . . ?
 O21 Al1 Al2 40.60(18) . 3_866 ?
 O21 Al1 Al2 39.74(18) . . ?
 O17 Al1 Al2 35.3(2) . . ?
 O17 Al1 Al2 89.4(2) . 3_866 ?
 O17 Al1 O21 74.8(3) . . ?
 P1 O16 Al1 155.1(5) . 4_576 ?
 Al1 Al2 Al1 119.93(11) 3_866 . ?
 Al1 Al2 Al2 60.14(11) 3_866 3_866 ?
 Al2 Al2 Al1 59.80(11) 3_866 . ?
 O18 Al2 Al1 144.3(3) 3_866 . ?
 O18 Al2 Al1 34.2(2) 3_866 3_866 ?
 O18 Al2 Al2 89.3(2) 3_866 3_866 ?
 O18 Al2 O21 98.1(3) 3_866 . ?
 O18 Al2 O21 81.0(3) 3_866 3_866 ?
 O18 Al2 O19 91.0(3) 3_866 . ?
 O18 Al2 O20 90.6(3) 3_866 . ?
 O21 Al2 Al1 84.9(2) . 3_866 ?
 O21 Al2 Al1 84.2(2) 3_866 . ?
 O21 Al2 Al1 47.0(2) . . ?
 O21 Al2 Al1 47.2(2) 3_866 3_866 ?
 O21 Al2 Al2 39.5(2) . 3_866 ?
 O21 Al2 Al2 38.9(2) 3_866 3_866 ?
 O21 Al2 O21 78.4(3) . 3_866 ?
 O21 Al2 O20 94.1(3) . . ?
 O17 Al2 Al1 33.9(2) . . ?
 O17 Al2 Al1 142.9(3) . 3_866 ?
 O17 Al2 Al2 88.0(2) . 3_866 ?
 O17 Al2 O18 177.1(3) . 3_866 ?
 O17 Al2 O21 80.5(3) . . ?
 O17 Al2 O21 96.2(3) . 3_866 ?
 O17 Al2 O19 90.1(3) . . ?
 O17 Al2 O20 92.1(3) . . ?
 O19 Al2 Al1 122.8(3) . . ?
 O19 Al2 Al1 98.7(3) . 3_866 ?
 O19 Al2 Al2 133.8(3) . 3_866 ?
 O19 Al2 O21 95.8(3) . 3_866 ?
 O19 Al2 O21 168.2(3) . . ?
 O19 Al2 O20 93.3(4) . . ?
 O20 Al2 Al1 123.0(3) . 3_866 ?
 O20 Al2 Al1 97.9(2) . . ?
 O20 Al2 Al2 132.9(3) . 3_866 ?
 O20 Al2 O21 167.7(4) . 3_866 ?
 Al1 O18 Al2 109.8(3) . 3_866 ?
 Al2 O21 Al1 92.2(3) 3_866 . ?
 Al2 O21 Al1 93.3(3) . . ?
 Al2 O21 Al2 101.6(3) . 3_866 ?
 Al1 O17 Al2 110.8(4) . . ?

_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 1.369
_oxdiff_exptl_absorpt_empirical_full_min 0.773
