# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_64533
_database_code_depnum_ccdc_archive 'CCDC 1958255'
loop_
_audit_author_name
_audit_author_address
'Zhi Fang'
;Fujian Institute of Research on the Structure of Matter,CAS
China
;
_audit_update_record             
;
2019-10-09 deposited with the CCDC.	2019-11-18 downloaded from the CCDC.
;
_audit_creation_date             2019-06-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '0.25(Al4 Ba44 O140 P36)'
_chemical_formula_sum            'Al Ba11 O35 P9'
_chemical_formula_weight         2376.45
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         BaAlPO
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           45
_space_group_name_H-M_alt        'I b a 2'
_space_group_name_Hall           'I 2 -2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, z+1/2'
'x, -y, z+1/2'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1'
'x+1/2, -y+1/2, z+1'

_cell_length_a                   13.3196(3)
_cell_length_b                   14.1030(3)
_cell_length_c                   18.3913(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3454.75(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5568
_cell_measurement_temperature    100.01(11)
_cell_measurement_theta_max      28.8510
_cell_measurement_theta_min      3.6340
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    12.876
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44023
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    4.569
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4176
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0654
_diffrn_reflns_av_unetI/netI     0.0557
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18059
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         3.452
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(11)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2083
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -103.00 -55.00   1.00    3.17    --  -21.21 178.00 150.00   48
  2  ω    -69.00  -7.00   1.00    3.17    --  -21.21 105.00-174.00   62
  3  ω    -45.00  97.00   1.00    3.17    --   21.28  19.00 -60.00  142
  4  ω    -15.00  69.00   1.00    3.17    --   21.28-105.00  84.00   84
  5  ω    -20.00  66.00   1.00    3.17    --   21.28 -99.00   0.00   86
  6  ω    -54.00  88.00   1.00    3.17    --   21.28 -19.00  30.00  142
  7  ω    -12.00  23.00   1.00    3.17    --   21.28  77.00  60.00   35
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0241200000
_diffrn_orient_matrix_UB_12      -0.0287121000
_diffrn_orient_matrix_UB_13      -0.0264207000
_diffrn_orient_matrix_UB_21      0.0060473000
_diffrn_orient_matrix_UB_22      -0.0364487000
_diffrn_orient_matrix_UB_23      0.0262200000
_diffrn_orient_matrix_UB_31      -0.0470785000
_diffrn_orient_matrix_UB_32      -0.0193802000
_diffrn_orient_matrix_UB_33      -0.0101511000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.887
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.928
_reflns_number_gt                3831
_reflns_number_total             4102
_reflns_odcompleteness_completeness 99.65
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.645
_refine_diff_density_min         -1.533
_refine_diff_density_rms         0.320
_refine_ls_abs_structure_details 
;
 Flack x determined using 1640 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.06(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         4102
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0344
_refine_ls_restrained_S_all      1.079
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0291P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0688
_refine_ls_wR_factor_ref         0.0734
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
O19 \\sim O12 \\sim O11 \\sim O10 \\sim O22 \\sim O8 \\sim O20 \\sim O21 \\sim
O1 \\sim O9 \\sim O18 \\sim O5 \\sim O17 \\sim O16 \\sim O4 \\sim O7 \\sim O6
\\sim O15 \\sim O2 \\sim O3 \\sim O14 \\sim O13: within 2.4A with sigma of 0.01
and sigma for terminal atoms of 0.01
Uanis(O1) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.05
2. Others
 Fixed Sof: O5(0.5) O4(0.5) O7(0.5) O6(0.5) O15(0.5) O2(0.5) O3(0.5) O14(0.5)
 O13(0.5)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ba1 Ba 0.82535(6) 0.32236(5) 0.39052(6) 0.01243(18) Uani 1 1 d . . . . .
Ba2 Ba 0.59261(7) 0.26358(6) 0.54590(5) 0.0126(2) Uani 1 1 d . . . . .
Ba3 Ba 0.32883(7) 0.43793(7) 0.52353(5) 0.0147(2) Uani 1 1 d . . . . .
Ba4 Ba 0.30393(6) 0.55949(6) 0.76122(5) 0.01248(19) Uani 1 1 d . . . . .
Ba5 Ba 0.09356(7) 0.77715(6) 0.72442(6) 0.0167(2) Uani 1 1 d . . . . .
Ba6 Ba 0.000000 0.500000 0.70617(7) 0.0104(3) Uani 1 2 d S T P . .
P5 P 0.1320(3) 0.6070(2) 0.8968(2) 0.0109(7) Uani 1 1 d . . . . .
P4 P 0.1705(3) 0.3324(3) 0.7055(2) 0.0129(8) Uani 1 1 d . . . . .
Al1 Al 0.000000 0.500000 0.9929(4) 0.0151(14) Uani 1 2 d S T P . .
P3 P 0.5212(4) 0.6030(3) 0.8852(4) 0.0425(15) Uani 1 1 d . . . . .
O19 O 0.0333(8) 0.6018(8) 0.9434(6) 0.021(3) Uani 1 1 d . U . . .
O12 O 0.2405(11) 0.3450(11) 0.6396(7) 0.048(4) Uani 1 1 d . U . . .
P1 P 0.1555(3) 0.6276(3) 0.5757(2) 0.0127(8) Uani 1 1 d . . . . .
P2 P 0.500000 0.500000 0.6545(3) 0.0119(11) Uani 1 2 d S T P . .
O11 O -0.0617(8) 0.6827(7) 0.6771(6) 0.018(2) Uani 1 1 d . U . . .
O10 O 0.1672(7) 0.6190(7) 0.6584(6) 0.015(2) Uani 1 1 d . U . . .
O22 O 0.1689(7) 0.4199(7) 0.7551(6) 0.016(2) Uani 1 1 d . U . . .
O8 O 0.2533(8) 0.6153(7) 0.5333(6) 0.023(3) Uani 1 1 d . U . . .
O20 O 0.0910(8) 0.4627(8) 1.0547(6) 0.022(3) Uani 1 1 d . U . . .
O21 O 0.1061(8) 0.6272(7) 0.8180(5) 0.016(2) Uani 1 1 d . U . . .
O1 O 0.6992(8) 0.1805(8) 0.4320(6) 0.019(2) Uani 1 1 d . U . . .
O9 O 0.1038(8) 0.7182(7) 0.5521(6) 0.022(3) Uani 1 1 d . U . . .
O18 O 0.1865(12) 0.5107(8) 0.9056(7) 0.041(4) Uani 1 1 d . U . . .
O5 O 0.4174(15) 0.5658(15) 0.6337(13) 0.017(4) Uani 0.5 1 d . U . . .
O17 O 0.2073(9) 0.2504(7) 0.7536(6) 0.020(2) Uani 1 1 d . U . . .
O16 O 0.6219(11) 0.6235(16) 0.8615(9) 0.088(7) Uani 1 1 d . U . . .
O4 O 0.4981(16) 0.5859(15) 0.5990(13) 0.022(4) Uani 0.5 1 d . U . . .
O7 O 0.5229(15) 0.5457(13) 0.7295(12) 0.018(4) Uani 0.5 1 d . U . . .
O6 O 0.6030(15) 0.5447(14) 0.6568(12) 0.014(4) Uani 0.5 1 d . U . . .
O15 O 0.4566(16) 0.5122(15) 0.8668(12) 0.023(4) Uani 0.5 1 d . U . . .
O2 O 0.5223(16) 0.4148(15) 0.4779(12) 0.017(4) Uani 0.5 1 d . U . . .
O3 O 0.4860(19) 0.3547(17) 0.4485(13) 0.028(5) Uani 0.5 1 d . U . . .
O14 O 0.4300(19) 0.6331(17) 0.8716(15) 0.033(5) Uani 0.5 1 d . U . . .
O13 O 0.4544(18) 0.6688(16) 0.8196(15) 0.030(5) Uani 0.5 1 d . U . . .


_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
Ba1 P4 3.406(4) 3_654 ?
Ba1 O19 3.124(11) 4_664 ?
Ba1 P1 3.488(4) 2_665 ?
Ba1 O22 2.847(11) 3_654 ?
Ba1 O8 2.960(12) 2_665 ?
Ba1 O1 2.722(10) . ?
Ba1 O9 3.170(12) 2_665 ?
Ba1 O18 2.676(12) 3_654 ?
Ba1 O17 2.750(11) 3_654 ?
Ba1 O16 2.866(16) 4_564 ?
Ba1 O14 3.03(2) 5_544 ?
Ba1 O13 3.06(2) 5_544 ?
Ba2 P5 3.559(4) 5_544 ?
Ba2 P4 3.394(4) 8_554 ?
Ba2 O19 3.064(11) 5_544 ?
Ba2 O12 3.033(18) 8_554 ?
Ba2 O11 2.701(11) 7_544 ?
Ba2 O8 2.680(11) 2_665 ?
Ba2 O1 2.788(11) . ?
Ba2 O9 2.695(11) 7_544 ?
Ba2 O5 2.90(2) 2_665 ?
Ba2 O4 2.63(2) 2_665 ?
Ba2 O2 2.64(2) . ?
Ba2 O3 2.62(2) . ?
Ba3 O12 2.767(12) . ?
Ba3 O8 2.703(11) . ?
Ba3 O1 2.934(11) 8_454 ?
Ba3 O9 3.268(10) 7_544 ?
Ba3 O18 2.970(13) 4_564 ?
Ba3 O5 2.96(2) . ?
Ba3 O4 2.71(2) 2_665 ?
Ba3 O6 2.63(2) 2_665 ?
Ba3 O2 2.73(2) . ?
Ba3 O2 2.99(2) 2_665 ?
Ba3 O3 2.77(2) . ?
Ba3 O14 3.26(3) 4_564 ?
Ba4 O10 2.756(10) . ?
Ba4 O22 2.668(9) . ?
Ba4 O21 2.991(11) . ?
Ba4 O18 3.158(15) . ?
Ba4 O5 2.79(2) . ?
Ba4 O17 2.700(10) 7_554 ?
Ba4 O7 2.98(2) . ?
Ba4 O7 2.80(2) 2_665 ?
Ba4 O6 2.72(2) 2_665 ?
Ba4 O15 2.89(2) . ?
Ba4 O14 2.83(3) . ?
Ba4 O13 2.75(2) . ?
Ba5 P4 3.256(4) 7_554 ?
Ba5 O12 2.869(14) 7_554 ?
Ba5 O11 2.609(11) . ?
Ba5 O10 2.723(10) . ?
Ba5 O21 2.732(10) . ?
Ba5 O9 3.279(12) . ?
Ba5 O17 2.732(12) 7_554 ?
Ba5 O16 2.909(16) 8_464 ?
Ba5 O4 3.27(2) 8_464 ?
Ba5 O7 2.671(19) 8_464 ?
Ba5 O6 2.81(2) 8_464 ?
Ba5 O13 2.66(2) 8_464 ?
Ba6 P4 3.278(4) . ?
Ba6 P4 3.278(4) 2_565 ?
Ba6 O11 2.757(10) . ?
Ba6 O11 2.757(10) 2_565 ?
Ba6 O10 2.924(10) . ?
Ba6 O10 2.924(10) 2_565 ?
Ba6 O22 2.673(9) . ?
Ba6 O22 2.673(9) 2_565 ?
Ba6 O20 3.083(11) 4_564 ?
Ba6 O20 3.083(11) 3_554 ?
Ba6 O21 3.074(10) 2_565 ?
Ba6 O21 3.074(10) . ?
P5 O19 1.571(11) . ?
P5 O21 1.517(10) . ?
P5 O1 1.515(11) 5_455 ?
P5 O18 1.548(12) . ?
P4 O12 1.540(12) . ?
P4 O11 1.555(11) 2_565 ?
P4 O22 1.535(10) . ?
P4 O17 1.536(11) . ?
Al1 O19 1.757(12) 2_565 ?
Al1 O19 1.757(12) . ?
Al1 O20 1.743(11) 2_565 ?
Al1 O20 1.743(11) . ?
P3 O16 1.440(16) . ?
P3 O15 1.69(2) 2_665 ?
P3 O15 1.58(2) . ?
P3 O2 1.72(2) 4_565 ?
P3 O3 1.39(2) 4_565 ?
P3 O14 1.31(3) . ?
P3 O13 1.76(3) . ?
P1 O10 1.533(11) . ?
P1 O8 1.529(11) . ?
P1 O20 1.584(11) 4_564 ?
P1 O9 1.515(11) . ?
P2 O5 1.49(2) 2_665 ?
P2 O5 1.49(2) . ?
P2 O4 1.59(2) . ?
P2 O4 1.59(2) 2_665 ?
P2 O7 1.55(2) . ?
P2 O7 1.55(2) 2_665 ?
P2 O6 1.51(2) . ?
P2 O6 1.51(2) 2_665 ?
O5 O4 1.28(3) . ?
O5 O6 1.64(3) 2_665 ?
O7 O7 1.43(4) 2_665 ?
O7 O6 1.71(3) . ?
O15 O15 1.21(4) 2_665 ?
O15 O14 1.74(3) . ?
O2 O3 1.12(3) . ?
O3 O14 1.61(4) 4_564 ?
O14 O13 1.13(3) . ?

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
P4 Ba1 P1 165.03(10) 3_654 2_665 ?
O19 Ba1 P4 106.4(2) 4_664 3_654 ?
O19 Ba1 P1 64.0(2) 4_664 2_665 ?
O19 Ba1 O9 60.4(3) 4_664 2_665 ?
O22 Ba1 P4 26.5(2) 3_654 3_654 ?
O22 Ba1 O19 94.8(3) 3_654 4_664 ?
O22 Ba1 P1 139.0(2) 3_654 2_665 ?
O22 Ba1 O8 129.9(3) 3_654 2_665 ?
O22 Ba1 O9 154.1(3) 3_654 2_665 ?
O22 Ba1 O16 74.6(4) 3_654 4_564 ?
O22 Ba1 O14 108.2(5) 3_654 5_544 ?
O22 Ba1 O13 87.4(5) 3_654 5_544 ?
O8 Ba1 P4 151.6(2) 2_665 3_654 ?
O8 Ba1 O19 86.3(3) 2_665 4_664 ?
O8 Ba1 P1 25.8(2) 2_665 2_665 ?
O8 Ba1 O9 47.7(3) 2_665 2_665 ?
O8 Ba1 O14 121.7(5) 2_665 5_544 ?
O8 Ba1 O13 142.0(5) 2_665 5_544 ?
O1 Ba1 P4 108.7(2) . 3_654 ?
O1 Ba1 O19 135.4(3) . 4_664 ?
O1 Ba1 P1 85.4(2) . 2_665 ?
O1 Ba1 O22 128.1(3) . 3_654 ?
O1 Ba1 O8 75.6(3) . 2_665 ?
O1 Ba1 O9 77.8(3) . 2_665 ?
O1 Ba1 O17 83.6(3) . 3_654 ?
O1 Ba1 O16 70.4(5) . 4_564 ?
O1 Ba1 O14 70.7(6) . 5_544 ?
O1 Ba1 O13 86.9(5) . 5_544 ?
O9 Ba1 P4 159.9(2) 2_665 3_654 ?
O9 Ba1 P1 25.74(19) 2_665 2_665 ?
O18 Ba1 P4 93.6(3) 3_654 3_654 ?
O18 Ba1 O19 71.3(4) 3_654 4_664 ?
O18 Ba1 P1 72.7(3) 3_654 2_665 ?
O18 Ba1 O22 67.2(3) 3_654 3_654 ?
O18 Ba1 O8 65.9(3) 3_654 2_665 ?
O18 Ba1 O1 131.6(4) 3_654 . ?
O18 Ba1 O9 95.7(3) 3_654 2_665 ?
O18 Ba1 O17 116.9(4) 3_654 3_654 ?
O18 Ba1 O16 72.5(5) 3_654 4_564 ?
O18 Ba1 O14 156.0(6) 3_654 5_544 ?
O18 Ba1 O13 141.3(5) 3_654 5_544 ?
O17 Ba1 P4 26.2(2) 3_654 3_654 ?
O17 Ba1 O19 123.5(3) 3_654 4_664 ?
O17 Ba1 P1 168.7(2) 3_654 2_665 ?
O17 Ba1 O22 51.8(3) 3_654 3_654 ?
O17 Ba1 O8 150.0(3) 3_654 2_665 ?
O17 Ba1 O9 147.0(3) 3_654 2_665 ?
O17 Ba1 O16 77.2(4) 3_654 4_564 ?
O17 Ba1 O14 69.0(6) 3_654 5_544 ?
O17 Ba1 O13 55.7(6) 3_654 5_544 ?
O16 Ba1 P4 79.5(3) 4_564 3_654 ?
O16 Ba1 O19 143.6(5) 4_564 4_664 ?
O16 Ba1 P1 101.4(3) 4_564 2_665 ?
O16 Ba1 O8 75.6(4) 4_564 2_665 ?
O16 Ba1 O9 120.3(4) 4_564 2_665 ?
O16 Ba1 O14 130.4(7) 4_564 5_544 ?
O16 Ba1 O13 129.9(6) 4_564 5_544 ?
O14 Ba1 P4 85.1(5) 5_544 3_654 ?
O14 Ba1 O19 86.0(5) 5_544 4_664 ?
O14 Ba1 P1 104.9(5) 5_544 2_665 ?
O14 Ba1 O9 79.2(5) 5_544 2_665 ?
O14 Ba1 O13 21.3(6) 5_544 5_544 ?
O13 Ba1 P4 66.0(5) 5_544 3_654 ?
O13 Ba1 O19 82.9(5) 5_544 4_664 ?
O13 Ba1 P1 121.2(5) 5_544 2_665 ?
O13 Ba1 O9 96.0(5) 5_544 2_665 ?
P4 Ba2 P5 111.94(9) 8_554 5_544 ?
O19 Ba2 P5 26.1(2) 5_544 5_544 ?
O19 Ba2 P4 108.3(2) 5_544 8_554 ?
O12 Ba2 P5 91.6(2) 8_554 5_544 ?
O12 Ba2 P4 27.0(2) 8_554 8_554 ?
O12 Ba2 O19 98.1(3) 8_554 5_544 ?
O11 Ba2 P5 116.7(2) 7_544 5_544 ?
O11 Ba2 P4 26.6(2) 7_544 8_554 ?
O11 Ba2 O19 101.3(3) 7_544 5_544 ?
O11 Ba2 O12 51.5(3) 7_544 8_554 ?
O11 Ba2 O1 124.8(3) 7_544 . ?
O11 Ba2 O5 81.1(5) 7_544 2_665 ?
O8 Ba2 P5 102.5(3) 2_665 5_544 ?
O8 Ba2 P4 95.4(2) 2_665 8_554 ?
O8 Ba2 O19 128.2(3) 2_665 5_544 ?
O8 Ba2 O12 82.7(3) 2_665 8_554 ?
O8 Ba2 O11 117.6(3) 2_665 7_544 ?
O8 Ba2 O1 79.2(3) 2_665 . ?
O8 Ba2 O9 153.9(3) 2_665 7_544 ?
O8 Ba2 O5 63.6(5) 2_665 2_665 ?
O1 Ba2 P5 23.9(2) . 5_544 ?
O1 Ba2 P4 109.1(2) . 8_554 ?
O1 Ba2 O19 49.9(3) . 5_544 ?
O1 Ba2 O12 83.3(3) . 8_554 ?
O1 Ba2 O5 142.2(5) . 2_665 ?
O9 Ba2 P5 91.6(3) 7_544 5_544 ?
O9 Ba2 P4 99.5(2) 7_544 8_554 ?
O9 Ba2 O19 66.4(3) 7_544 5_544 ?
O9 Ba2 O12 119.1(3) 7_544 8_554 ?
O9 Ba2 O11 73.4(3) 7_544 7_544 ?
O9 Ba2 O1 115.2(3) 7_544 . ?
O9 Ba2 O5 97.4(5) 7_544 2_665 ?
O5 Ba2 P5 161.8(4) 2_665 5_544 ?
O5 Ba2 P4 82.1(5) 2_665 8_554 ?
O5 Ba2 O19 161.5(5) 2_665 5_544 ?
O5 Ba2 O12 97.6(5) 2_665 8_554 ?
O4 Ba2 P5 148.7(5) 2_665 5_544 ?
O4 Ba2 P4 98.1(5) 2_665 8_554 ?
O4 Ba2 O19 135.3(5) 2_665 5_544 ?
O4 Ba2 O12 119.7(5) 2_665 8_554 ?
O4 Ba2 O11 86.5(6) 2_665 7_544 ?
O4 Ba2 O8 82.5(5) 2_665 2_665 ?
O4 Ba2 O1 148.4(6) 2_665 . ?
O4 Ba2 O9 74.3(5) 2_665 7_544 ?
O4 Ba2 O5 26.2(6) 2_665 2_665 ?
O4 Ba2 O2 50.4(7) 2_665 . ?
O2 Ba2 P5 100.8(5) . 5_544 ?
O2 Ba2 P4 147.0(5) . 8_554 ?
O2 Ba2 O19 102.6(5) . 5_544 ?
O2 Ba2 O12 155.0(5) . 8_554 ?
O2 Ba2 O11 135.2(5) . 7_544 ?
O2 Ba2 O8 73.5(5) . 2_665 ?
O2 Ba2 O1 99.4(5) . . ?
O2 Ba2 O9 82.4(5) . 7_544 ?
O2 Ba2 O5 65.1(7) . 2_665 ?
O3 Ba2 P5 81.8(5) . 5_544 ?
O3 Ba2 P4 162.1(5) . 8_554 ?
O3 Ba2 O19 78.8(6) . 5_544 ?
O3 Ba2 O12 170.9(6) . 8_554 ?
O3 Ba2 O11 137.3(6) . 7_544 ?
O3 Ba2 O8 92.5(6) . 2_665 ?
O3 Ba2 O1 88.2(6) . . ?
O3 Ba2 O9 67.6(6) . 7_544 ?
O3 Ba2 O5 87.1(7) . 2_665 ?
O3 Ba2 O4 67.0(7) . 2_665 ?
O3 Ba2 O2 24.4(6) . . ?
O12 Ba3 O1 85.6(4) . 8_454 ?
O12 Ba3 O9 62.9(3) . 7_544 ?
O12 Ba3 O18 114.1(4) . 4_564 ?
O12 Ba3 O5 86.0(6) . . ?
O12 Ba3 O2 145.8(6) . 2_665 ?
O12 Ba3 O3 120.4(5) . . ?
O12 Ba3 O14 133.7(5) . 4_564 ?
O8 Ba3 O12 103.2(4) . . ?
O8 Ba3 O1 110.3(3) . 8_454 ?
O8 Ba3 O9 165.7(3) . 7_544 ?
O8 Ba3 O18 65.5(3) . 4_564 ?
O8 Ba3 O5 62.5(5) . . ?
O8 Ba3 O4 113.4(5) . 2_665 ?
O8 Ba3 O2 118.9(5) . . ?
O8 Ba3 O2 67.8(5) . 2_665 ?
O8 Ba3 O3 135.0(6) . . ?
O8 Ba3 O14 119.7(5) . 4_564 ?
O1 Ba3 O9 73.4(3) 8_454 7_544 ?
O1 Ba3 O18 49.0(3) 8_454 4_564 ?
O1 Ba3 O5 167.2(5) 8_454 . ?
O1 Ba3 O2 128.6(5) 8_454 2_665 ?
O1 Ba3 O14 64.9(5) 8_454 4_564 ?
O18 Ba3 O9 121.6(3) 4_564 7_544 ?
O18 Ba3 O2 92.8(5) 4_564 2_665 ?
O18 Ba3 O14 73.3(5) 4_564 4_564 ?
O5 Ba3 O9 111.0(5) . 7_544 ?
O5 Ba3 O18 127.3(5) . 4_564 ?
O5 Ba3 O2 60.3(6) . 2_665 ?
O5 Ba3 O14 127.6(6) . 4_564 ?
O4 Ba3 O12 84.7(6) 2_665 . ?
O4 Ba3 O1 136.3(5) 2_665 8_454 ?
O4 Ba3 O9 64.3(5) 2_665 7_544 ?
O4 Ba3 O18 161.2(6) 2_665 4_564 ?
O4 Ba3 O5 52.1(6) 2_665 . ?
O4 Ba3 O2 48.7(7) 2_665 . ?
O4 Ba3 O2 70.5(6) 2_665 2_665 ?
O4 Ba3 O3 63.9(7) 2_665 . ?
O4 Ba3 O14 92.8(7) 2_665 4_564 ?
O6 Ba3 O12 58.1(6) 2_665 . ?
O6 Ba3 O8 88.9(5) 2_665 . ?
O6 Ba3 O1 142.4(5) 2_665 8_454 ?
O6 Ba3 O9 81.0(5) 2_665 7_544 ?
O6 Ba3 O18 151.6(5) 2_665 4_564 ?
O6 Ba3 O5 33.4(5) 2_665 . ?
O6 Ba3 O4 40.5(7) 2_665 2_665 ?
O6 Ba3 O2 88.2(6) 2_665 2_665 ?
O6 Ba3 O2 88.4(6) 2_665 . ?
O6 Ba3 O3 104.1(7) 2_665 . ?
O6 Ba3 O14 133.3(6) 2_665 4_564 ?
O2 Ba3 O12 125.6(5) . . ?
O2 Ba3 O1 108.1(5) . 8_454 ?
O2 Ba3 O9 121.4(4) 2_665 7_544 ?
O2 Ba3 O9 71.1(5) . 7_544 ?
O2 Ba3 O18 114.0(5) . 4_564 ?
O2 Ba3 O5 84.7(6) . . ?
O2 Ba3 O2 51.0(8) . 2_665 ?
O2 Ba3 O3 23.4(6) . . ?
O2 Ba3 O14 46.3(6) . 4_564 ?
O2 Ba3 O14 72.5(6) 2_665 4_564 ?
O3 Ba3 O1 85.3(6) . 8_454 ?
O3 Ba3 O9 58.0(5) . 7_544 ?
O3 Ba3 O18 102.8(6) . 4_564 ?
O3 Ba3 O5 107.4(7) . . ?
O3 Ba3 O2 69.7(7) . 2_665 ?
O3 Ba3 O14 29.5(7) . 4_564 ?
O14 Ba3 O9 74.5(5) 4_564 7_544 ?
O10 Ba4 O21 63.9(3) . . ?
O10 Ba4 O18 108.4(3) . . ?
O10 Ba4 O5 76.8(5) . . ?
O10 Ba4 O7 124.2(5) . 2_665 ?
O10 Ba4 O7 122.1(5) . . ?
O10 Ba4 O15 175.0(5) . . ?
O10 Ba4 O14 140.5(5) . . ?
O22 Ba4 O10 75.5(3) . . ?
O22 Ba4 O21 69.9(3) . . ?
O22 Ba4 O18 62.7(3) . . ?
O22 Ba4 O5 110.7(5) . . ?
O22 Ba4 O17 134.1(3) . 7_554 ?
O22 Ba4 O7 127.1(4) . . ?
O22 Ba4 O7 98.9(4) . 2_665 ?
O22 Ba4 O6 83.0(5) . 2_665 ?
O22 Ba4 O15 109.4(5) . . ?
O22 Ba4 O14 134.5(6) . . ?
O22 Ba4 O13 157.2(6) . . ?
O21 Ba4 O18 48.7(3) . . ?
O5 Ba4 O21 139.5(5) . . ?
O5 Ba4 O18 169.0(5) . . ?
O5 Ba4 O7 52.9(6) . 2_665 ?
O5 Ba4 O7 46.2(6) . . ?
O5 Ba4 O15 101.0(6) . . ?
O5 Ba4 O14 105.6(7) . . ?
O17 Ba4 O10 67.9(3) 7_554 . ?
O17 Ba4 O21 69.6(3) 7_554 . ?
O17 Ba4 O18 103.5(3) 7_554 . ?
O17 Ba4 O5 87.4(5) 7_554 . ?
O17 Ba4 O7 96.3(4) 7_554 . ?
O17 Ba4 O7 124.2(5) 7_554 2_665 ?
O17 Ba4 O6 121.8(5) 7_554 2_665 ?
O17 Ba4 O15 107.7(5) 7_554 . ?
O17 Ba4 O14 72.8(5) 7_554 . ?
O17 Ba4 O13 60.1(5) 7_554 . ?
O7 Ba4 O21 165.1(4) 2_665 . ?
O7 Ba4 O21 162.0(4) . . ?
O7 Ba4 O18 129.4(5) . . ?
O7 Ba4 O18 117.8(5) 2_665 . ?
O7 Ba4 O7 28.3(7) 2_665 . ?
O7 Ba4 O15 55.9(6) 2_665 . ?
O7 Ba4 O14 81.7(7) 2_665 . ?
O6 Ba4 O10 88.9(5) 2_665 . ?
O6 Ba4 O21 145.3(5) 2_665 . ?
O6 Ba4 O18 134.6(5) 2_665 . ?
O6 Ba4 O5 34.6(5) 2_665 . ?
O6 Ba4 O7 36.0(6) 2_665 2_665 ?
O6 Ba4 O7 51.7(6) 2_665 . ?
O6 Ba4 O15 91.7(6) 2_665 . ?
O6 Ba4 O14 115.7(7) 2_665 . ?
O6 Ba4 O13 104.3(7) 2_665 . ?
O15 Ba4 O21 117.3(5) . . ?
O15 Ba4 O18 74.5(5) . . ?
O15 Ba4 O7 55.1(6) . . ?
O14 Ba4 O21 98.9(6) . . ?
O14 Ba4 O18 76.8(6) . . ?
O14 Ba4 O7 65.4(6) . . ?
O14 Ba4 O15 35.5(6) . . ?
O13 Ba4 O10 125.4(6) . . ?
O13 Ba4 O21 109.1(6) . . ?
O13 Ba4 O18 98.9(6) . . ?
O13 Ba4 O5 85.1(7) . . ?
O13 Ba4 O7 53.1(6) . . ?
O13 Ba4 O7 77.2(7) . 2_665 ?
O13 Ba4 O15 49.7(6) . . ?
O13 Ba4 O14 23.3(7) . . ?
P4 Ba5 O9 85.3(2) 7_554 . ?
P4 Ba5 O4 99.1(4) 7_554 8_464 ?
O12 Ba5 P4 28.2(2) 7_554 7_554 ?
O12 Ba5 O9 61.8(3) 7_554 . ?
O12 Ba5 O16 102.2(5) 7_554 8_464 ?
O12 Ba5 O4 73.7(4) 7_554 8_464 ?
O11 Ba5 P4 148.4(2) . 7_554 ?
O11 Ba5 O12 126.8(3) . 7_554 ?
O11 Ba5 O10 73.7(3) . . ?
O11 Ba5 O21 82.2(3) . . ?
O11 Ba5 O9 65.2(3) . . ?
O11 Ba5 O17 139.8(3) . 7_554 ?
O11 Ba5 O16 129.6(4) . 8_464 ?
O11 Ba5 O4 76.0(4) . 8_464 ?
O11 Ba5 O7 102.1(5) . 8_464 ?
O11 Ba5 O6 110.2(5) . 8_464 ?
O11 Ba5 O13 79.3(6) . 8_464 ?
O10 Ba5 P4 78.5(2) . 7_554 ?
O10 Ba5 O12 75.7(4) . 7_554 ?
O10 Ba5 O21 68.0(3) . . ?
O10 Ba5 O9 49.2(3) . . ?
O10 Ba5 O17 68.0(3) . 7_554 ?
O10 Ba5 O16 137.3(4) . 8_464 ?
O10 Ba5 O4 108.0(4) . 8_464 ?
O10 Ba5 O6 121.3(5) . 8_464 ?
O21 Ba5 P4 101.1(2) . 7_554 ?
O21 Ba5 O12 123.6(4) . 7_554 ?
O21 Ba5 O9 114.2(3) . . ?
O21 Ba5 O17 73.1(3) . 7_554 ?
O21 Ba5 O16 79.5(5) . 8_464 ?
O21 Ba5 O4 157.9(4) . 8_464 ?
O21 Ba5 O6 165.8(5) . 8_464 ?
O17 Ba5 P4 28.0(2) 7_554 7_554 ?
O17 Ba5 O12 53.5(3) 7_554 7_554 ?
O17 Ba5 O9 96.6(3) 7_554 . ?
O17 Ba5 O16 76.7(4) 7_554 8_464 ?
O17 Ba5 O4 126.8(4) 7_554 8_464 ?
O17 Ba5 O6 99.6(5) 7_554 8_464 ?
O16 Ba5 P4 81.5(3) 8_464 7_554 ?
O16 Ba5 O9 162.6(5) 8_464 . ?
O16 Ba5 O4 112.2(6) 8_464 8_464 ?
O4 Ba5 O9 58.9(4) 8_464 . ?
O7 Ba5 P4 96.9(5) 8_464 7_554 ?
O7 Ba5 O12 88.8(6) 8_464 7_554 ?
O7 Ba5 O10 155.3(5) 8_464 . ?
O7 Ba5 O21 136.3(5) 8_464 . ?
O7 Ba5 O9 106.6(5) 8_464 . ?
O7 Ba5 O17 117.7(5) 8_464 7_554 ?
O7 Ba5 O16 64.2(6) 8_464 8_464 ?
O7 Ba5 O4 48.3(6) 8_464 8_464 ?
O7 Ba5 O6 36.3(6) 8_464 8_464 ?
O6 Ba5 P4 72.3(4) 8_464 7_554 ?
O6 Ba5 O12 55.0(5) 8_464 7_554 ?
O6 Ba5 O9 78.3(5) 8_464 . ?
O6 Ba5 O16 87.0(6) 8_464 8_464 ?
O6 Ba5 O4 34.4(6) 8_464 8_464 ?
O13 Ba5 P4 132.4(5) 8_464 7_554 ?
O13 Ba5 O12 143.0(6) 8_464 7_554 ?
O13 Ba5 O10 141.2(6) 8_464 . ?
O13 Ba5 O21 81.4(6) 8_464 . ?
O13 Ba5 O9 137.5(6) 8_464 . ?
O13 Ba5 O17 125.9(6) 8_464 7_554 ?
O13 Ba5 O16 51.8(6) 8_464 8_464 ?
O13 Ba5 O4 91.4(7) 8_464 8_464 ?
O13 Ba5 O7 57.6(7) 8_464 8_464 ?
O13 Ba5 O6 93.8(7) 8_464 8_464 ?
P4 Ba6 P4 179.57(16) 2_565 . ?
O11 Ba6 P4 151.6(2) 2_565 2_565 ?
O11 Ba6 P4 151.6(2) . . ?
O11 Ba6 P4 28.2(2) 2_565 . ?
O11 Ba6 P4 28.2(2) . 2_565 ?
O11 Ba6 O11 157.6(4) . 2_565 ?
O11 Ba6 O10 68.4(3) 2_565 2_565 ?
O11 Ba6 O10 104.5(3) 2_565 . ?
O11 Ba6 O10 104.5(3) . 2_565 ?
O11 Ba6 O10 68.4(3) . . ?
O11 Ba6 O20 82.4(3) 2_565 4_564 ?
O11 Ba6 O20 77.4(3) 2_565 3_554 ?
O11 Ba6 O20 82.4(3) . 3_554 ?
O11 Ba6 O20 77.4(3) . 4_564 ?
O11 Ba6 O21 122.6(3) . 2_565 ?
O11 Ba6 O21 73.8(3) . . ?
O11 Ba6 O21 73.8(3) 2_565 2_565 ?
O11 Ba6 O21 122.6(3) 2_565 . ?
O10 Ba6 P4 96.5(2) 2_565 . ?
O10 Ba6 P4 96.5(2) . 2_565 ?
O10 Ba6 P4 83.4(2) 2_565 2_565 ?
O10 Ba6 P4 83.4(2) . . ?
O10 Ba6 O10 145.0(4) 2_565 . ?
O10 Ba6 O20 97.2(3) 2_565 4_564 ?
O10 Ba6 O20 48.0(3) . 4_564 ?
O10 Ba6 O20 97.2(3) . 3_554 ?
O10 Ba6 O20 48.0(3) 2_565 3_554 ?
O10 Ba6 O21 61.1(3) 2_565 2_565 ?
O10 Ba6 O21 152.4(3) 2_565 . ?
O10 Ba6 O21 61.1(3) . . ?
O10 Ba6 O21 152.4(3) . 2_565 ?
O22 Ba6 P4 27.6(2) . . ?
O22 Ba6 P4 27.6(2) 2_565 2_565 ?
O22 Ba6 P4 152.7(2) . 2_565 ?
O22 Ba6 P4 152.7(2) 2_565 . ?
O22 Ba6 O11 54.5(3) . 2_565 ?
O22 Ba6 O11 135.3(3) 2_565 2_565 ?
O22 Ba6 O11 54.5(3) 2_565 . ?
O22 Ba6 O11 135.3(3) . . ?
O22 Ba6 O10 120.0(3) 2_565 . ?
O22 Ba6 O10 72.7(3) . . ?
O22 Ba6 O10 120.0(3) . 2_565 ?
O22 Ba6 O10 72.7(3) 2_565 2_565 ?
O22 Ba6 O22 140.7(5) . 2_565 ?
O22 Ba6 O20 124.2(3) . 3_554 ?
O22 Ba6 O20 124.2(3) 2_565 4_564 ?
O22 Ba6 O20 92.6(3) 2_565 3_554 ?
O22 Ba6 O20 92.6(3) . 4_564 ?
O22 Ba6 O21 85.1(3) 2_565 . ?
O22 Ba6 O21 85.1(3) . 2_565 ?
O22 Ba6 O21 68.6(3) 2_565 2_565 ?
O22 Ba6 O21 68.6(3) . . ?
O20 Ba6 P4 81.2(2) 3_554 2_565 ?
O20 Ba6 P4 81.2(2) 4_564 . ?
O20 Ba6 P4 98.4(2) 3_554 . ?
O20 Ba6 P4 98.4(2) 4_564 2_565 ?
O20 Ba6 O20 50.8(4) 3_554 4_564 ?
O21 Ba6 P4 96.0(2) 2_565 2_565 ?
O21 Ba6 P4 96.0(2) . . ?
O21 Ba6 P4 84.3(2) 2_565 . ?
O21 Ba6 P4 84.3(2) . 2_565 ?
O21 Ba6 O20 152.3(3) . 3_554 ?
O21 Ba6 O20 152.3(3) 2_565 4_564 ?
O21 Ba6 O20 108.9(3) . 4_564 ?
O21 Ba6 O20 108.9(3) 2_565 3_554 ?
O21 Ba6 O21 96.0(4) 2_565 . ?
Ba2 P5 Ba3 73.45(8) 5_455 4_565 ?
Ba4 P5 Ba2 140.80(11) . 5_455 ?
Ba4 P5 Ba3 87.14(9) . 4_565 ?
O19 P5 Ba2 59.1(4) . 5_455 ?
O19 P5 Ba3 104.5(4) . 4_565 ?
O19 P5 Ba4 160.1(5) . . ?
O21 P5 Ba2 125.8(4) . 5_455 ?
O21 P5 Ba3 145.6(4) . 4_565 ?
O21 P5 Ba4 59.8(4) . . ?
O21 P5 O19 109.8(6) . . ?
O21 P5 O18 111.8(7) . . ?
O1 P5 Ba2 48.2(4) 5_455 5_455 ?
O1 P5 Ba3 53.7(4) 5_455 4_565 ?
O1 P5 Ba4 92.9(5) 5_455 . ?
O1 P5 O19 107.1(6) 5_455 . ?
O1 P5 O21 114.4(6) 5_455 . ?
O1 P5 O18 106.2(7) 5_455 . ?
O18 P5 Ba2 122.2(5) . 5_455 ?
O18 P5 Ba3 55.3(5) . 4_565 ?
O18 P5 Ba4 66.0(6) . . ?
O18 P5 O19 107.1(7) . . ?
Ba2 P4 Ba1 148.46(13) 8_454 3_655 ?
Ba5 P4 Ba1 82.39(10) 7_544 3_655 ?
Ba5 P4 Ba2 106.98(11) 7_544 8_454 ?
Ba5 P4 Ba6 147.20(13) 7_544 . ?
Ba6 P4 Ba1 92.14(10) . 3_655 ?
Ba6 P4 Ba2 94.54(10) . 8_454 ?
O12 P4 Ba1 141.4(7) . 3_655 ?
O12 P4 Ba2 63.3(7) . 8_454 ?
O12 P4 Ba5 61.8(5) . 7_544 ?
O12 P4 Ba6 109.8(5) . . ?
O12 P4 O11 108.4(8) . 2_565 ?
O11 P4 Ba1 110.2(4) 2_565 3_655 ?
O11 P4 Ba2 51.0(4) 2_565 8_454 ?
O11 P4 Ba5 154.5(4) 2_565 7_544 ?
O11 P4 Ba6 56.9(4) 2_565 . ?
O22 P4 Ba1 56.0(4) . 3_655 ?
O22 P4 Ba2 146.1(4) . 8_454 ?
O22 P4 Ba5 98.2(4) . 7_544 ?
O22 P4 Ba6 53.7(4) . . ?
O22 P4 O12 112.5(8) . . ?
O22 P4 O11 107.3(6) . 2_565 ?
O22 P4 O17 105.5(6) . . ?
O17 P4 Ba1 52.3(4) . 3_655 ?
O17 P4 Ba2 107.2(4) . 8_454 ?
O17 P4 Ba5 56.7(5) . 7_544 ?
O17 P4 Ba6 139.6(5) . . ?
O17 P4 O12 110.3(7) . . ?
O17 P4 O11 112.8(6) . 2_565 ?
Ba1 Al1 Ba1 122.30(17) 3_655 4_465 ?
O19 Al1 Ba1 51.4(4) . 4_465 ?
O19 Al1 Ba1 97.1(4) . 3_655 ?
O19 Al1 Ba1 97.1(4) 2_565 4_465 ?
O19 Al1 Ba1 51.4(4) 2_565 3_655 ?
O19 Al1 O19 117.5(8) 2_565 . ?
O20 Al1 Ba1 157.3(4) . 4_465 ?
O20 Al1 Ba1 72.9(4) 2_565 4_465 ?
O20 Al1 Ba1 72.9(4) . 3_655 ?
O20 Al1 Ba1 157.3(4) 2_565 3_655 ?
O20 Al1 O19 105.5(5) . 2_565 ?
O20 Al1 O19 114.2(5) . . ?
O20 Al1 O19 105.5(5) 2_565 . ?
O20 Al1 O19 114.2(5) 2_565 2_565 ?
O20 Al1 O20 98.6(8) . 2_565 ?
Ba2 P3 Ba3 72.49(12) 4_565 4_565 ?
Ba2 P3 Ba4 141.74(14) 4_565 . ?
Ba3 P3 Ba4 81.73(10) 4_565 . ?
Ba5 P3 Ba2 111.15(12) 8_564 4_565 ?
Ba5 P3 Ba3 147.93(18) 8_564 4_565 ?
Ba5 P3 Ba4 77.25(16) 8_564 . ?
O16 P3 Ba2 84.1(8) . 4_565 ?
O16 P3 Ba3 153.5(8) . 4_565 ?
O16 P3 Ba4 124.7(7) . . ?
O16 P3 Ba5 52.9(7) . 8_564 ?
O16 P3 O15 88.3(12) . 2_665 ?
O16 P3 O15 127.3(12) . . ?
O16 P3 O2 108.7(10) . 4_565 ?
O16 P3 O13 99.0(11) . . ?
O15 P3 Ba2 128.1(8) 2_665 4_565 ?
O15 P3 Ba2 137.5(9) . 4_565 ?
O15 P3 Ba3 68.9(8) . 4_565 ?
O15 P3 Ba3 96.4(8) 2_665 4_565 ?
O15 P3 Ba4 46.7(8) . . ?
O15 P3 Ba4 81.7(8) 2_665 . ?
O15 P3 Ba5 110.9(9) . 8_564 ?
O15 P3 Ba5 104.2(8) 2_665 8_564 ?
O15 P3 O15 43.2(14) . 2_665 ?
O15 P3 O2 95.7(11) . 4_565 ?
O15 P3 O2 93.3(11) 2_665 4_565 ?
O15 P3 O13 117.3(12) 2_665 . ?
O15 P3 O13 90.3(11) . . ?
O2 P3 Ba2 42.9(7) 4_565 4_565 ?
O2 P3 Ba3 45.2(7) 4_565 4_565 ?
O2 P3 Ba4 125.9(7) 4_565 . ?
O2 P3 Ba5 153.3(7) 4_565 8_564 ?
O2 P3 O13 139.3(12) 4_565 . ?
O3 P3 Ba2 35.3(10) 4_565 4_565 ?
O3 P3 Ba3 41.3(10) 4_565 4_565 ?
O3 P3 Ba4 108.7(11) 4_565 . ?
O3 P3 Ba5 125.9(11) 4_565 8_564 ?
O3 P3 O16 118.8(13) 4_565 . ?
O3 P3 O15 129.9(14) 4_565 2_665 ?
O3 P3 O15 110.1(13) 4_565 . ?
O3 P3 O2 40.2(12) 4_565 4_565 ?
O3 P3 O13 100.2(14) 4_565 . ?
O14 P3 Ba2 103.3(11) . 4_565 ?
O14 P3 Ba3 62.3(12) . 4_565 ?
O14 P3 Ba4 38.6(11) . . ?
O14 P3 Ba5 86.4(12) . 8_564 ?
O14 P3 O16 137.7(15) . . ?
O14 P3 O15 73.6(13) . . ?
O14 P3 O15 115.9(13) . 2_665 ?
O14 P3 O2 104.2(14) . 4_565 ?
O14 P3 O3 73.1(16) . 4_565 ?
O14 P3 O13 39.7(13) . . ?
O13 P3 Ba2 114.6(9) . 4_565 ?
O13 P3 Ba3 101.9(8) . 4_565 ?
O13 P3 Ba4 43.8(8) . . ?
O13 P3 Ba5 46.7(8) . 8_564 ?
Ba2 O19 Ba1 99.5(3) 5_455 4_465 ?
P5 O19 Ba1 123.8(6) . 4_465 ?
P5 O19 Ba2 94.8(5) . 5_455 ?
P5 O19 Al1 122.1(7) . . ?
Al1 O19 Ba1 102.6(4) . 4_465 ?
Al1 O19 Ba2 110.8(5) . 5_455 ?
Ba3 O12 Ba2 94.4(4) . 8_454 ?
Ba3 O12 Ba5 104.5(5) . 7_544 ?
Ba5 O12 Ba2 129.9(5) 7_544 8_454 ?
P4 O12 Ba2 89.7(8) . 8_454 ?
P4 O12 Ba3 156.8(8) . . ?
P4 O12 Ba5 90.0(6) . 7_544 ?
Ba1 P1 Ba2 72.97(8) 2_665 2_665 ?
Ba1 P1 Ba3 81.11(9) 2_665 . ?
Ba1 P1 Ba5 130.47(12) 2_665 . ?
Ba1 P1 Ba6 141.67(12) 2_665 . ?
Ba3 P1 Ba2 72.22(8) . 2_665 ?
Ba5 P1 Ba2 94.46(9) . 2_665 ?
Ba5 P1 Ba3 141.47(13) . . ?
Ba5 P1 Ba6 69.78(8) . . ?
Ba6 P1 Ba2 144.20(12) . 2_665 ?
Ba6 P1 Ba3 99.79(9) . . ?
O10 P1 Ba1 167.7(4) . 2_665 ?
O10 P1 Ba2 95.0(4) . 2_665 ?
O10 P1 Ba3 97.9(4) . . ?
O10 P1 Ba5 46.2(4) . . ?
O10 P1 Ba6 50.7(4) . . ?
O10 P1 O20 103.5(6) . 4_564 ?
O8 P1 Ba1 57.4(5) . 2_665 ?
O8 P1 Ba2 37.3(4) . 2_665 ?
O8 P1 Ba3 41.1(4) . . ?
O8 P1 Ba5 131.2(5) . . ?
O8 P1 Ba6 139.9(5) . . ?
O8 P1 O10 114.2(7) . . ?
O8 P1 O20 104.3(6) . 4_564 ?
O20 P1 Ba1 88.0(4) 4_564 2_665 ?
O20 P1 Ba2 141.5(5) 4_564 2_665 ?
O20 P1 Ba3 72.0(5) 4_564 . ?
O20 P1 Ba5 122.7(4) 4_564 . ?
O20 P1 Ba6 57.0(4) 4_564 . ?
O9 P1 Ba1 65.3(5) . 2_665 ?
O9 P1 Ba2 91.1(4) . 2_665 ?
O9 P1 Ba3 145.8(5) . . ?
O9 P1 Ba5 67.3(5) . . ?
O9 P1 Ba6 110.3(5) . . ?
O9 P1 O10 113.5(6) . . ?
O9 P1 O8 109.6(6) . . ?
O9 P1 O20 111.2(7) . 4_564 ?
Ba3 P2 Ba3 90.79(13) . 2_665 ?
Ba4 P2 Ba3 149.29(4) 2_665 . ?
Ba4 P2 Ba3 87.56(2) 2_665 2_665 ?
Ba4 P2 Ba3 87.56(2) . . ?
Ba4 P2 Ba3 149.29(4) . 2_665 ?
Ba4 P2 Ba4 108.84(15) . 2_665 ?
O5 P2 Ba3 59.2(9) . . ?
O5 P2 Ba3 98.7(9) 2_665 . ?
O5 P2 Ba3 98.7(9) . 2_665 ?
O5 P2 Ba3 59.2(9) 2_665 2_665 ?
O5 P2 Ba4 151.2(9) . 2_665 ?
O5 P2 Ba4 54.7(9) 2_665 2_665 ?
O5 P2 Ba4 54.7(9) . . ?
O5 P2 Ba4 151.2(9) 2_665 . ?
O5 P2 O5 150.2(18) 2_665 . ?
O5 P2 O4 108.8(11) . 2_665 ?
O5 P2 O4 108.8(11) 2_665 . ?
O5 P2 O4 49.2(11) 2_665 2_665 ?
O5 P2 O4 49.2(11) . . ?
O5 P2 O7 96.6(12) 2_665 2_665 ?
O5 P2 O7 110.0(11) 2_665 . ?
O5 P2 O7 110.0(11) . 2_665 ?
O5 P2 O7 96.6(12) . . ?
O5 P2 O6 66.2(10) 2_665 . ?
O5 P2 O6 66.2(10) . 2_665 ?
O5 P2 O6 114.7(11) . . ?
O5 P2 O6 114.7(11) 2_665 2_665 ?
O4 P2 Ba3 74.4(9) . . ?
O4 P2 Ba3 50.4(8) 2_665 . ?
O4 P2 Ba3 50.4(8) . 2_665 ?
O4 P2 Ba3 74.5(9) 2_665 2_665 ?
O4 P2 Ba4 99.9(8) 2_665 2_665 ?
O4 P2 Ba4 125.3(8) 2_665 . ?
O4 P2 Ba4 99.9(8) . . ?
O4 P2 Ba4 125.3(8) . 2_665 ?
O4 P2 O4 99.8(18) 2_665 . ?
O7 P2 Ba3 149.4(8) . . ?
O7 P2 Ba3 112.8(8) . 2_665 ?
O7 P2 Ba3 149.4(8) 2_665 2_665 ?
O7 P2 Ba3 112.8(8) 2_665 . ?
O7 P2 Ba4 62.1(8) . . ?
O7 P2 Ba4 62.1(8) 2_665 2_665 ?
O7 P2 Ba4 55.5(8) . 2_665 ?
O7 P2 Ba4 55.5(8) 2_665 . ?
O7 P2 O4 152.4(11) . 2_665 ?
O7 P2 O4 152.4(11) 2_665 . ?
O7 P2 O4 105.0(12) . . ?
O7 P2 O4 105.0(12) 2_665 2_665 ?
O7 P2 O7 54.7(15) 2_665 . ?
O6 P2 Ba3 46.3(8) . 2_665 ?
O6 P2 Ba3 136.9(9) . . ?
O6 P2 Ba3 136.9(9) 2_665 2_665 ?
O6 P2 Ba3 46.3(8) 2_665 . ?
O6 P2 Ba4 125.7(8) 2_665 2_665 ?
O6 P2 Ba4 52.0(8) 2_665 . ?
O6 P2 Ba4 125.7(8) . . ?
O6 P2 Ba4 52.0(8) . 2_665 ?
O6 P2 O4 73.4(11) . . ?
O6 P2 O4 108.8(11) . 2_665 ?
O6 P2 O4 108.8(11) 2_665 . ?
O6 P2 O4 73.4(11) 2_665 2_665 ?
O6 P2 O7 109.1(12) . 2_665 ?
O6 P2 O7 67.9(11) 2_665 2_665 ?
O6 P2 O7 67.9(11) . . ?
O6 P2 O7 109.1(12) 2_665 . ?
O6 P2 O6 176.8(17) 2_665 . ?
Ba2 O11 Ba6 127.9(4) 7_554 . ?
Ba5 O11 Ba2 101.7(3) . 7_554 ?
Ba5 O11 Ba6 100.1(4) . . ?
P4 O11 Ba2 102.5(5) 2_565 7_554 ?
P4 O11 Ba5 134.1(6) 2_565 . ?
P4 O11 Ba6 94.9(5) 2_565 . ?
Ba4 O10 Ba6 97.0(3) . . ?
Ba5 O10 Ba4 100.4(3) . . ?
Ba5 O10 Ba6 93.5(3) . . ?
P1 O10 Ba4 140.6(6) . . ?
P1 O10 Ba5 109.9(5) . . ?
P1 O10 Ba6 105.4(5) . . ?
Ba4 O22 Ba1 107.5(3) . 3_655 ?
Ba4 O22 Ba6 105.7(3) . . ?
Ba6 O22 Ba1 121.4(4) . 3_655 ?
P4 O22 Ba1 97.5(5) . 3_655 ?
P4 O22 Ba4 127.5(6) . . ?
P4 O22 Ba6 98.7(5) . . ?
Ba2 O8 Ba1 99.1(3) 2_665 2_665 ?
Ba2 O8 Ba3 108.1(4) 2_665 . ?
Ba3 O8 Ba1 110.3(4) . 2_665 ?
P1 O8 Ba1 96.8(6) . 2_665 ?
P1 O8 Ba2 122.4(6) . 2_665 ?
P1 O8 Ba3 117.1(6) . . ?
Al1 O20 Ba6 105.3(5) . 3 ?
P1 O20 Ba6 97.5(5) 4_565 3 ?
P1 O20 Al1 141.1(8) 4_565 . ?
Ba4 O21 Ba6 89.1(3) . . ?
Ba5 O21 Ba4 94.6(3) . . ?
Ba5 O21 Ba6 90.1(3) . . ?
P5 O21 Ba4 94.2(5) . . ?
P5 O21 Ba5 139.6(6) . . ?
P5 O21 Ba6 129.4(5) . . ?
Ba1 O1 Ba2 102.5(4) . . ?
Ba1 O1 Ba3 102.5(3) . 8_554 ?
Ba2 O1 Ba3 96.2(3) . 8_554 ?
P5 O1 Ba1 138.4(6) 5_544 . ?
P5 O1 Ba2 107.9(5) 5_544 . ?
P5 O1 Ba3 101.7(5) 5_544 8_554 ?
Ba1 O9 Ba3 86.5(3) 2_665 7_554 ?
Ba1 O9 Ba5 164.6(4) 2_665 . ?
Ba2 O9 Ba1 107.0(3) 7_554 2_665 ?
Ba2 O9 Ba3 92.0(3) 7_554 7_554 ?
Ba2 O9 Ba5 86.6(3) 7_554 . ?
Ba3 O9 Ba5 85.8(3) 7_554 . ?
P1 O9 Ba1 88.9(5) . 2_665 ?
P1 O9 Ba2 130.8(6) . 7_554 ?
P1 O9 Ba3 136.1(6) . 7_554 ?
P1 O9 Ba5 87.4(5) . . ?
Ba1 O18 Ba3 110.8(4) 3_655 4_565 ?
Ba1 O18 Ba4 99.1(4) 3_655 . ?
Ba3 O18 Ba4 104.2(5) 4_565 . ?
P5 O18 Ba1 146.3(8) . 3_655 ?
P5 O18 Ba3 99.3(6) . 4_565 ?
P5 O18 Ba4 87.3(6) . . ?
Ba2 O5 Ba3 96.1(7) 2_665 . ?
Ba4 O5 Ba2 118.0(7) . 2_665 ?
Ba4 O5 Ba3 109.9(7) . . ?
P2 O5 Ba2 133.9(11) . 2_665 ?
P2 O5 Ba3 95.2(10) . . ?
P2 O5 Ba4 99.5(11) . . ?
P2 O5 O6 57.5(10) . 2_665 ?
O4 O5 Ba2 65.0(13) . 2_665 ?
O4 O5 Ba3 97.3(17) . . ?
O4 O5 Ba4 151.6(19) . . ?
O4 O5 P2 69.3(14) . . ?
O4 O5 O6 118.6(19) . 2_665 ?
O6 O5 Ba2 157.8(14) 2_665 2_665 ?
O6 O5 Ba3 62.1(10) 2_665 . ?
O6 O5 Ba4 70.2(10) 2_665 . ?
Ba4 O17 Ba1 108.2(4) 7_544 3_655 ?
Ba4 O17 Ba5 101.6(3) 7_544 7_544 ?
Ba5 O17 Ba1 106.4(4) 7_544 3_655 ?
P4 O17 Ba1 101.5(5) . 3_655 ?
P4 O17 Ba4 139.7(6) . 7_544 ?
P4 O17 Ba5 95.3(5) . 7_544 ?
Ba1 O16 Ba4 91.7(5) 4_565 2_665 ?
Ba1 O16 Ba5 99.0(5) 4_565 8_564 ?
Ba5 O16 Ba4 86.1(5) 8_564 2_665 ?
P3 O16 Ba1 151.4(10) . 4_565 ?
P3 O16 Ba4 106.8(11) . 2_665 ?
P3 O16 Ba5 103.8(8) . 8_564 ?
Ba2 O4 Ba3 107.5(7) 2_665 2_665 ?
Ba2 O4 Ba5 87.9(6) 2_665 8_564 ?
Ba3 O4 Ba5 96.0(6) 2_665 8_564 ?
P2 O4 Ba2 149.7(12) . 2_665 ?
P2 O4 Ba3 102.8(9) . 2_665 ?
P2 O4 Ba5 89.5(10) . 8_564 ?
O5 O4 Ba2 88.8(14) . 2_665 ?
O5 O4 Ba3 160.1(17) . 2_665 ?
O5 O4 Ba5 96.0(17) . 8_564 ?
O5 O4 P2 61.5(14) . . ?
Ba4 O7 Ba4 143.0(8) 2_665 . ?
Ba5 O7 Ba4 106.9(6) 8_564 . ?
Ba5 O7 Ba4 102.3(7) 8_564 2_665 ?
P2 O7 Ba4 90.5(9) . . ?
P2 O7 Ba4 97.3(9) . 2_665 ?
P2 O7 Ba5 115.2(11) . 8_564 ?
P2 O7 O6 54.9(10) . . ?
O7 O7 Ba4 82.8(16) 2_665 2_665 ?
O7 O7 Ba4 68.9(15) 2_665 . ?
O7 O7 Ba5 174.9(19) 2_665 8_564 ?
O7 O7 P2 62.6(8) 2_665 . ?
O7 O7 O6 105.0(14) 2_665 . ?
O6 O7 Ba4 139.8(13) . . ?
O6 O7 Ba4 69.2(10) . 2_665 ?
O6 O7 Ba5 76.2(10) . 8_564 ?
Ba3 O6 Ba4 123.5(7) 2_665 2_665 ?
Ba3 O6 Ba5 110.2(7) 2_665 8_564 ?
Ba4 O6 Ba5 101.0(7) 2_665 8_564 ?
P2 O6 Ba3 109.1(11) . 2_665 ?
P2 O6 Ba4 102.1(9) . 2_665 ?
P2 O6 Ba5 110.2(10) . 8_564 ?
P2 O6 O5 56.3(10) . 2_665 ?
P2 O6 O7 57.3(10) . . ?
O5 O6 Ba3 84.5(11) 2_665 2_665 ?
O5 O6 Ba4 75.2(10) 2_665 2_665 ?
O5 O6 Ba5 163.6(13) 2_665 8_564 ?
O5 O6 O7 96.2(14) 2_665 . ?
O7 O6 Ba3 160.9(13) . 2_665 ?
O7 O6 Ba4 74.7(10) . 2_665 ?
O7 O6 Ba5 67.5(9) . 8_564 ?
P3 O15 Ba4 109.9(10) . . ?
P3 O15 Ba4 118.8(10) 2_665 . ?
P3 O15 P3 130.0(14) . 2_665 ?
P3 O15 O14 46.1(10) . . ?
P3 O15 O14 165.5(18) 2_665 . ?
O15 O15 Ba4 137.8(4) 2_665 . ?
O15 O15 P3 63.7(17) 2_665 2_665 ?
O15 O15 P3 73.1(19) 2_665 . ?
O15 O15 O14 118(3) 2_665 . ?
O14 O15 Ba4 70.4(11) . . ?
Ba2 O2 Ba3 101.1(7) . 2_665 ?
Ba2 O2 Ba3 106.6(7) . . ?
Ba3 O2 Ba3 117.2(7) . 2_665 ?
P3 O2 Ba2 110.7(10) 4_564 . ?
P3 O2 Ba3 108.3(10) 4_564 . ?
P3 O2 Ba3 112.6(10) 4_564 2_665 ?
O3 O2 Ba2 76.7(16) . . ?
O3 O2 Ba3 80.3(17) . . ?
O3 O2 Ba3 162(2) . 2_665 ?
O3 O2 P3 53.6(16) . 4_564 ?
Ba2 O3 Ba3 106.0(8) . . ?
P3 O3 Ba2 126.9(14) 4_564 . ?
P3 O3 Ba3 119.4(12) 4_564 . ?
P3 O3 O14 51.3(12) 4_564 4_564 ?
O2 O3 Ba2 78.8(16) . . ?
O2 O3 Ba3 76.3(17) . . ?
O2 O3 P3 86(2) . 4_564 ?
O2 O3 O14 123(2) . 4_564 ?
O14 O3 Ba2 154.7(17) 4_564 . ?
O14 O3 Ba3 92.5(14) 4_564 . ?
Ba1 O14 Ba3 89.0(7) 5_455 4_565 ?
Ba4 O14 Ba1 97.6(7) . 5_455 ?
Ba4 O14 Ba3 104.9(8) . 4_565 ?
P3 O14 Ba1 133.6(15) . 5_455 ?
P3 O14 Ba3 96.8(13) . 4_565 ?
P3 O14 Ba4 124.6(14) . . ?
P3 O14 O15 60.2(12) . . ?
P3 O14 O3 55.7(14) . 4_565 ?
O15 O14 Ba1 163.8(15) . 5_455 ?
O15 O14 Ba3 80.0(12) . 4_565 ?
O15 O14 Ba4 74.1(11) . . ?
O3 O14 Ba1 91.1(14) 4_565 5_455 ?
O3 O14 Ba3 58.0(12) 4_565 4_565 ?
O3 O14 Ba4 160.8(17) 4_565 . ?
O3 O14 O15 93.1(17) 4_565 . ?
O13 O14 Ba1 80.7(18) . 5_455 ?
O13 O14 Ba3 169(2) . 4_565 ?
O13 O14 Ba4 74.2(19) . . ?
O13 O14 P3 92(2) . . ?
O13 O14 O15 110(2) . . ?
O13 O14 O3 124(3) . 4_565 ?
Ba4 O13 Ba1 98.8(7) . 5_455 ?
Ba5 O13 Ba1 118.0(8) 8_564 5_455 ?
Ba5 O13 Ba4 114.3(10) 8_564 . ?
P3 O13 Ba1 111.4(12) . 5_455 ?
P3 O13 Ba4 109.9(10) . . ?
P3 O13 Ba5 104.5(10) . 8_564 ?
O14 O13 Ba1 78.0(18) . 5_455 ?
O14 O13 Ba4 82.6(19) . . ?
O14 O13 Ba5 152(2) . 8_564 ?
O14 O13 P3 48.0(16) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.345
_oxdiff_exptl_absorpt_empirical_full_min 0.485
