# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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. 
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data_exp_8702
_database_code_depnum_ccdc_archive 'CCDC 2413877'
loop_
_audit_author_name
_audit_author_address
'Mingjun Xia'
;Technical Institute of Physics and Chemistry, CAS
China
;
_audit_update_record             
;
2024-12-31 deposited with the CCDC.	2025-04-08 downloaded from the CCDC.
;
_audit_creation_date             2021-04-26
_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         'Ba4 Hg P2 Se10'
_chemical_formula_sum            'Ba4 Hg P2 Se10'
_chemical_formula_weight         1601.49
_chemical_melting_point          ?
_chemical_oxdiff_formula         HgPSeBa
_chemical_oxdiff_usercomment     'sphere 0.8 0.5 7s RT'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.3894 9.2266 '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'
Se Se -0.0929 2.2259 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.6236(3)
_cell_length_b                   6.9578(3)
_cell_length_c                   12.0130(5)
_cell_angle_alpha                85.307(4)
_cell_angle_beta                 75.875(3)
_cell_angle_gamma                69.438(4)
_cell_volume                     502.68(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4906
_cell_measurement_temperature    299.7(8)
_cell_measurement_theta_max      31.0730
_cell_measurement_theta_min      3.1810
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    33.564
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    5.290
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             674
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_av_unetI/netI     0.0410
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.794
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9620
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.794
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.048
_diffrn_reflns_theta_min         3.127
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      299.7(8)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.794
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -56.00  19.00   0.50    7.00    --    5.81 -19.00  60.00  150
  2  ω    -21.00  26.00   0.50    7.00    --   -4.63 -99.00   0.00   94
  3  ω     -7.00  18.00   0.50    7.00    --    5.81-104.00 -80.00   50
  4  ω    -16.00  19.00   0.50    7.00    --   -4.63 -99.00 -60.00   70
  5  ω    -31.00  18.00   0.50    7.00    --    5.81 -19.00-150.00   98
  6  ω    -17.00  39.00   0.50    7.00    --    5.81 -99.00-180.00  112
  7  ω    -64.00  20.00   0.50    7.00    --    5.81 -33.00 -92.76  168
  8  ω    -62.00   6.00   0.50    7.00    --   -4.63 -37.00  60.00  136
  9  ω    -42.00  19.00   0.50    7.00    --    5.81 -19.00  90.00  122
 10  ω    -12.00  19.00   0.50    7.00    --    5.81 -34.00 176.07   62
 11  ω    -60.00 -35.00   0.50    7.00    --    5.81 -37.00  30.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0394954000
_diffrn_orient_matrix_UB_12      0.0212305000
_diffrn_orient_matrix_UB_13      -0.0510768000
_diffrn_orient_matrix_UB_21      -0.0938885000
_diffrn_orient_matrix_UB_22      -0.0268056000
_diffrn_orient_matrix_UB_23      0.0278361000
_diffrn_orient_matrix_UB_31      -0.0586693000
_diffrn_orient_matrix_UB_32      0.1033724000
_diffrn_orient_matrix_UB_33      0.0179834000
_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              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2155
_reflns_number_total             2562
_reflns_odcompleteness_completeness 99.51
_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 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.942
_refine_diff_density_min         -1.515
_refine_diff_density_rms         0.302
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     79
_refine_ls_number_reflns         2562
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0298
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0325P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0662
_refine_ls_wR_factor_ref         0.0689
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_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
Hg1 Hg 0.500000 0.000000 0.500000 0.02776(11) Uani 1 2 d S T P . .
Ba1 Ba 0.12178(6) 0.59117(5) 0.63180(3) 0.01751(10) Uani 1 1 d . . . . .
Ba2 Ba 0.59742(6) 0.19477(5) 0.11345(3) 0.01830(10) Uani 1 1 d . . . . .
Se1 Se 0.12525(10) 1.11179(8) 0.12130(5) 0.01544(14) Uani 1 1 d . . . . .
Se3 Se 0.58805(10) 0.71071(9) 0.17843(6) 0.01938(15) Uani 1 1 d . . . . .
Se5 Se 0.40478(10) 0.31853(8) 0.39164(5) 0.01635(14) Uani 1 1 d . . . . .
Se2 Se 0.14169(10) 0.59528(9) 0.11952(6) 0.01874(15) Uani 1 1 d . . . . .
Se4 Se 0.03448(12) 0.86560(10) 0.38614(6) 0.02556(17) Uani 1 1 d . . . . .
P1 P 0.2236(2) 0.8112(2) 0.20909(14) 0.0129(3) Uani 1 1 d . . . . .


_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
Hg1 Se5 2.4395(6) . ?
Hg1 Se5 2.4395(6) 2_656 ?
Ba1 Ba1 4.3391(8) 2_566 ?
Ba1 Ba2 4.7878(6) 2_566 ?
Ba1 Ba2 4.5291(6) 2_666 ?
Ba1 Se1 3.4648(7) 2_576 ?
Ba1 Se3 3.4383(8) 2_666 ?
Ba1 Se5 3.3984(7) 2_566 ?
Ba1 Se5 3.3514(7) 2_666 ?
Ba1 Se5 3.3457(7) . ?
Ba1 Se2 3.4734(7) 2_566 ?
Ba1 Se4 3.4387(8) . ?
Ba1 Se4 3.7081(8) 2_566 ?
Ba1 Se4 3.5540(7) 2_576 ?
Ba2 Ba2 4.6715(8) 2_655 ?
Ba2 Se1 3.4030(7) 2_665 ?
Ba2 Se1 3.3524(7) 1_545 ?
Ba2 Se1 3.3615(7) 1_645 ?
Ba2 Se3 3.7120(7) . ?
Ba2 Se3 3.4131(7) 1_545 ?
Ba2 Se5 3.3400(7) . ?
Ba2 Se2 3.4200(7) 2_665 ?
Ba2 Se2 3.3014(8) . ?
Ba2 P1 3.7643(16) 2_665 ?
Se1 P1 2.2198(16) . ?
Se3 P1 2.2081(16) . ?
Se2 P1 2.1978(17) . ?
Se4 P1 2.1759(16) . ?

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
Se5 Hg1 Se5 180.0 . 2_656 ?
Ba1 Ba1 Ba2 175.784(14) 2_566 2_666 ?
Ba1 Ba1 Ba2 92.328(12) 2_566 2_566 ?
Ba2 Ba1 Ba2 90.576(10) 2_666 2_566 ?
Se1 Ba1 Ba1 134.636(18) 2_576 2_566 ?
Se1 Ba1 Ba2 47.464(12) 2_576 2_666 ?
Se1 Ba1 Ba2 44.437(12) 2_576 2_566 ?
Se1 Ba1 Se2 58.724(15) 2_576 2_566 ?
Se1 Ba1 Se4 59.984(16) 2_576 2_576 ?
Se1 Ba1 Se4 117.386(17) 2_576 2_566 ?
Se3 Ba1 Ba1 129.035(17) 2_666 2_566 ?
Se3 Ba1 Ba2 53.430(13) 2_666 2_666 ?
Se3 Ba1 Ba2 97.857(14) 2_666 2_566 ?
Se3 Ba1 Se1 79.189(17) 2_666 2_576 ?
Se3 Ba1 Se2 58.343(16) 2_666 2_566 ?
Se3 Ba1 Se4 158.186(19) 2_666 . ?
Se3 Ba1 Se4 125.17(2) 2_666 2_576 ?
Se3 Ba1 Se4 82.879(17) 2_666 2_566 ?
Se5 Ba1 Ba1 50.489(13) . 2_566 ?
Se5 Ba1 Ba1 49.424(13) 2_566 2_566 ?
Se5 Ba1 Ba1 129.061(18) 2_666 2_566 ?
Se5 Ba1 Ba2 127.206(15) . 2_666 ?
Se5 Ba1 Ba2 132.692(14) 2_566 2_666 ?
Se5 Ba1 Ba2 141.304(15) . 2_566 ?
Se5 Ba1 Ba2 44.233(12) 2_566 2_566 ?
Se5 Ba1 Ba2 47.296(13) 2_666 2_666 ?
Se5 Ba1 Ba2 135.695(15) 2_666 2_566 ?
Se5 Ba1 Se1 174.216(19) . 2_576 ?
Se5 Ba1 Se1 91.311(17) 2_666 2_576 ?
Se5 Ba1 Se1 85.274(17) 2_566 2_576 ?
Se5 Ba1 Se3 130.408(18) 2_566 2_666 ?
Se5 Ba1 Se3 69.930(17) 2_666 2_666 ?
Se5 Ba1 Se3 99.112(18) . 2_666 ?
Se5 Ba1 Se5 157.81(2) 2_666 2_566 ?
Se5 Ba1 Se5 99.913(16) . 2_566 ?
Se5 Ba1 Se5 82.921(18) . 2_666 ?
Se5 Ba1 Se2 73.284(17) 2_566 2_566 ?
Se5 Ba1 Se2 125.102(17) . 2_566 ?
Se5 Ba1 Se2 123.077(19) 2_666 2_566 ?
Se5 Ba1 Se4 91.102(19) 2_666 . ?
Se5 Ba1 Se4 66.894(16) . . ?
Se5 Ba1 Se4 67.630(16) . 2_566 ?
Se5 Ba1 Se4 70.315(18) 2_566 . ?
Se5 Ba1 Se4 75.749(17) 2_666 2_576 ?
Se5 Ba1 Se4 63.335(16) 2_566 2_566 ?
Se5 Ba1 Se4 83.616(18) 2_566 2_576 ?
Se5 Ba1 Se4 117.762(18) . 2_576 ?
Se5 Ba1 Se4 136.017(18) 2_666 2_566 ?
Se2 Ba1 Ba1 102.599(16) 2_566 2_566 ?
Se2 Ba1 Ba2 81.609(14) 2_566 2_666 ?
Se2 Ba1 Ba2 43.595(12) 2_566 2_566 ?
Se2 Ba1 Se4 60.776(15) 2_566 2_566 ?
Se2 Ba1 Se4 115.438(17) 2_566 2_576 ?
Se4 Ba1 Ba1 49.840(13) 2_566 2_566 ?
Se4 Ba1 Ba1 55.500(15) . 2_566 ?
Se4 Ba1 Ba1 105.788(19) 2_576 2_566 ?
Se4 Ba1 Ba2 103.391(15) . 2_566 ?
Se4 Ba1 Ba2 80.374(13) 2_566 2_566 ?
Se4 Ba1 Ba2 120.784(17) . 2_666 ?
Se4 Ba1 Ba2 78.362(14) 2_576 2_566 ?
Se4 Ba1 Ba2 133.820(16) 2_566 2_666 ?
Se4 Ba1 Ba2 71.822(15) 2_576 2_666 ?
Se4 Ba1 Se1 112.990(18) . 2_576 ?
Se4 Ba1 Se2 143.30(2) . 2_566 ?
Se4 Ba1 Se4 105.339(16) . 2_566 ?
Se4 Ba1 Se4 56.08(2) . 2_576 ?
Se4 Ba1 Se4 146.70(3) 2_576 2_566 ?
Ba1 Ba2 Ba1 90.576(10) 2_666 2_566 ?
Ba1 Ba2 Ba2 164.986(15) 2_666 2_655 ?
Ba2 Ba2 Ba1 93.017(12) 2_655 2_566 ?
Se1 Ba2 Ba1 138.781(15) 2_665 2_566 ?
Se1 Ba2 Ba1 138.547(15) 1_645 2_566 ?
Se1 Ba2 Ba1 46.353(12) 1_545 2_566 ?
Se1 Ba2 Ba1 49.419(12) 1_645 2_666 ?
Se1 Ba2 Ba1 128.568(15) 2_665 2_666 ?
Se1 Ba2 Ba1 135.486(15) 1_545 2_666 ?
Se1 Ba2 Ba2 45.802(12) 2_665 2_655 ?
Se1 Ba2 Ba2 122.849(17) 1_645 2_655 ?
Se1 Ba2 Ba2 46.699(12) 1_545 2_655 ?
Se1 Ba2 Se1 79.172(18) 1_645 2_665 ?
Se1 Ba2 Se1 161.19(2) 1_545 1_645 ?
Se1 Ba2 Se1 92.500(17) 1_545 2_665 ?
Se1 Ba2 Se3 71.030(16) 2_665 1_545 ?
Se1 Ba2 Se3 120.640(17) 1_545 . ?
Se1 Ba2 Se3 130.369(17) 2_665 . ?
Se1 Ba2 Se3 98.622(18) 1_645 1_545 ?
Se1 Ba2 Se3 62.609(16) 1_545 1_545 ?
Se1 Ba2 Se3 76.748(16) 1_645 . ?
Se1 Ba2 Se2 68.717(17) 1_645 2_665 ?
Se1 Ba2 Se2 122.42(2) 1_545 2_665 ?
Se1 Ba2 Se2 62.875(15) 2_665 2_665 ?
Se1 Ba2 P1 94.90(3) 1_545 2_665 ?
Se1 Ba2 P1 35.63(2) 2_665 2_665 ?
Se1 Ba2 P1 88.11(3) 1_645 2_665 ?
Se3 Ba2 Ba1 84.491(13) 1_545 2_566 ?
Se3 Ba2 Ba1 48.067(13) . 2_666 ?
Se3 Ba2 Ba1 83.433(13) . 2_566 ?
Se3 Ba2 Ba1 110.507(16) 1_545 2_666 ?
Se3 Ba2 Ba2 55.462(14) 1_545 2_655 ?
Se3 Ba2 Ba2 146.883(18) . 2_655 ?
Se3 Ba2 Se3 155.10(2) 1_545 . ?
Se3 Ba2 Se2 133.612(18) 1_545 2_665 ?
Se3 Ba2 P1 100.75(3) . 2_665 ?
Se3 Ba2 P1 103.55(3) 1_545 2_665 ?
Se5 Ba2 Ba1 47.507(13) . 2_666 ?
Se5 Ba2 Ba1 45.217(13) . 2_566 ?
Se5 Ba2 Ba2 130.382(17) . 2_655 ?
Se5 Ba2 Se1 88.003(17) . 1_545 ?
Se5 Ba2 Se1 93.349(18) . 1_645 ?
Se5 Ba2 Se1 157.478(19) . 2_665 ?
Se5 Ba2 Se3 66.747(16) . . ?
Se5 Ba2 Se3 89.404(18) . 1_545 ?
Se5 Ba2 Se2 134.097(18) . 2_665 ?
Se5 Ba2 P1 166.61(3) . 2_665 ?
Se2 Ba2 Ba1 135.070(15) 2_665 2_566 ?
Se2 Ba2 Ba1 46.507(13) . 2_566 ?
Se2 Ba2 Ba1 94.711(14) 2_665 2_666 ?
Se2 Ba2 Ba1 99.679(15) . 2_666 ?
Se2 Ba2 Ba2 93.340(17) . 2_655 ?
Se2 Ba2 Ba2 93.018(16) 2_665 2_655 ?
Se2 Ba2 Se1 123.38(2) . 2_665 ?
Se2 Ba2 Se1 61.492(15) . 1_545 ?
Se2 Ba2 Se1 136.957(18) . 1_645 ?
Se2 Ba2 Se3 60.661(15) . . ?
Se2 Ba2 Se3 122.471(18) . 1_545 ?
Se2 Ba2 Se3 68.067(16) 2_665 . ?
Se2 Ba2 Se5 76.277(18) . . ?
Se2 Ba2 Se2 88.701(18) . 2_665 ?
Se2 Ba2 P1 93.61(3) . 2_665 ?
Se2 Ba2 P1 35.21(2) 2_665 2_665 ?
P1 Ba2 Ba1 127.92(3) 2_665 2_666 ?
P1 Ba2 Ba1 131.62(3) 2_665 2_566 ?
P1 Ba2 Ba2 57.94(2) 2_665 2_655 ?
Ba2 Se1 Ba1 89.210(17) 1_565 2_576 ?
Ba2 Se1 Ba1 175.73(2) 2_665 2_576 ?
Ba2 Se1 Ba1 83.118(16) 1_465 2_576 ?
Ba2 Se1 Ba2 87.499(16) 1_565 2_665 ?
Ba2 Se1 Ba2 161.19(2) 1_565 1_465 ?
Ba2 Se1 Ba2 100.828(18) 1_465 2_665 ?
P1 Se1 Ba1 96.45(4) . 2_576 ?
P1 Se1 Ba2 103.42(4) . 1_465 ?
P1 Se1 Ba2 94.47(4) . 1_565 ?
P1 Se1 Ba2 81.10(4) . 2_665 ?
Ba1 Se3 Ba2 78.503(15) 2_666 . ?
Ba2 Se3 Ba1 121.18(2) 1_565 2_666 ?
Ba2 Se3 Ba2 155.10(2) 1_565 . ?
P1 Se3 Ba1 122.86(5) . 2_666 ?
P1 Se3 Ba2 93.05(4) . 1_565 ?
P1 Se3 Ba2 87.03(4) . . ?
Hg1 Se5 Ba1 91.573(19) . . ?
Hg1 Se5 Ba1 104.94(2) . 2_566 ?
Hg1 Se5 Ba1 97.11(2) . 2_666 ?
Hg1 Se5 Ba2 107.25(2) . . ?
Ba1 Se5 Ba1 80.086(16) . 2_566 ?
Ba1 Se5 Ba1 97.079(18) . 2_666 ?
Ba1 Se5 Ba1 157.81(2) 2_666 2_566 ?
Ba2 Se5 Ba1 85.197(17) . 2_666 ?
Ba2 Se5 Ba1 90.550(19) . 2_566 ?
Ba2 Se5 Ba1 160.67(2) . . ?
Ba2 Se2 Ba1 89.898(18) . 2_566 ?
Ba2 Se2 Ba1 175.88(2) 2_665 2_566 ?
Ba2 Se2 Ba2 91.299(18) . 2_665 ?
P1 Se2 Ba1 94.95(4) . 2_566 ?
P1 Se2 Ba2 98.22(5) . . ?
P1 Se2 Ba2 80.98(4) . 2_665 ?
Ba1 Se4 Ba1 123.92(2) . 2_576 ?
Ba1 Se4 Ba1 146.70(3) 2_576 2_566 ?
Ba1 Se4 Ba1 74.660(16) . 2_566 ?
P1 Se4 Ba1 89.03(4) . 2_566 ?
P1 Se4 Ba1 94.81(4) . 2_576 ?
P1 Se4 Ba1 130.95(5) . . ?
Se1 P1 Ba2 63.27(4) . 2_665 ?
Se3 P1 Ba2 77.31(4) . 2_665 ?
Se3 P1 Se1 105.11(6) . . ?
Se2 P1 Ba2 63.81(4) . 2_665 ?
Se2 P1 Se1 107.33(7) . . ?
Se2 P1 Se3 107.78(7) . . ?
Se4 P1 Ba2 164.53(7) . 2_665 ?
Se4 P1 Se1 105.94(6) . . ?
Se4 P1 Se3 117.39(8) . . ?
Se4 P1 Se2 112.59(7) . . ?

_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 1.949
_oxdiff_exptl_absorpt_empirical_full_min 0.657
