# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_20230513_n5_mgo_300k_0m
_database_code_depnum_ccdc_archive 'CCDC 2500203'
loop_
_audit_author_name
_audit_author_address
'Tong Wu'
;Technical Institute of Physics and Chemistry CAS
China
;
_audit_update_record             
;
2025-11-04 deposited with the CCDC.	2025-12-15 downloaded from the CCDC.
;
_audit_creation_date             2025-11-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B2 Be2 F2 Mg1 O6 Sr1'
_chemical_formula_sum            'B2 Be2 F2 Mg O6 Sr'
_chemical_formula_weight         285.57
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Be Be 0.0005 0.0002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.0486 0.0363 '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'
Sr Sr -1.5307 3.2498 '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      trigonal
_space_group_IT_number           147
_space_group_name_H-M_alt        'P -3'
_space_group_name_Hall           '-P 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'

_cell_length_a                   4.5482(4)
_cell_length_b                   4.5482(4)
_cell_length_c                   7.3726(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     132.08(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    945
_cell_measurement_temperature    299.0
_cell_measurement_theta_max      27.96
_cell_measurement_theta_min      2.76
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.360
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6219
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0634 before and 0.0097 after correction.
The Ratio of minimum to maximum transmission is 0.8335.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    3.590
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             134
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0621
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4741
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.457
_diffrn_reflns_theta_min         2.763
_diffrn_ambient_temperature      299.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                281
_reflns_number_total             282
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.787
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     23
_refine_ls_number_reflns         282
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0274
_refine_ls_restrained_S_all      1.078
_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)+(0.0368P)²+0.1693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0685
_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
Sr01 Sr 1.000000 1.000000 0.500000 0.0113(2) Uani 1 6 d S T P . .
Mg02 Mg 0.000000 1.000000 0.000000 0.0075(4) Uani 1 6 d S T P . .
F003 F 0.666667 1.333333 0.4543(4) 0.0125(6) Uani 1 3 d S T P . .
O004 O 0.3431(5) 0.9747(5) 0.1807(2) 0.0086(4) Uani 1 1 d . . . . .
B005 B 0.333333 0.666667 0.1819(7) 0.0075(8) Uani 1 3 d S T P . .
Be06 Be 0.666667 1.333333 0.2363(8) 0.0071(10) Uani 1 3 d S T 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
Sr01 F003 2.6474(4) 4_776 ?
Sr01 F003 2.6474(5) 4_676 ?
Sr01 F003 2.6474(5) 1_545 ?
Sr01 F003 2.6474(4) . ?
Sr01 F003 2.6474(5) 4_786 ?
Sr01 F003 2.6474(5) 1_655 ?
Sr01 O004 2.8582(19) 6_766 ?
Sr01 O004 2.8582(19) 3_565 ?
Sr01 O004 2.8582(19) 4_676 ?
Sr01 O004 2.8582(19) 1_655 ?
Sr01 O004 2.8582(19) 5_556 ?
Sr01 O004 2.8582(19) 2_775 ?
Mg02 O004 2.0983(18) 5_455 ?
Mg02 O004 2.0983(18) . ?
Mg02 O004 2.0983(18) 6_665 ?
Mg02 O004 2.0983(18) 3_465 ?
Mg02 O004 2.0983(18) 4_575 ?
Mg02 O004 2.0983(18) 2_675 ?
Mg02 Be06 3.151(3) 4_675 ?
Mg02 Be06 3.151(3) 1_455 ?
Mg02 Be06 3.151(3) 4_575 ?
Mg02 Be06 3.151(3) . ?
Mg02 Be06 3.151(3) 4_685 ?
Mg02 Be06 3.151(3) 1_445 ?
F003 Be06 1.607(7) . ?
O004 B005 1.3793(19) . ?
O004 Be06 1.611(2) . ?

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
F003 Sr01 F003 180.0 4_776 . ?
F003 Sr01 F003 118.41(3) . 1_655 ?
F003 Sr01 F003 61.59(3) 4_776 1_545 ?
F003 Sr01 F003 61.59(3) 4_776 1_655 ?
F003 Sr01 F003 61.59(3) 4_786 1_655 ?
F003 Sr01 F003 61.59(3) . 4_676 ?
F003 Sr01 F003 61.59(3) 1_545 4_676 ?
F003 Sr01 F003 118.41(3) . 1_545 ?
F003 Sr01 F003 180.0 4_786 1_545 ?
F003 Sr01 F003 61.59(3) . 4_786 ?
F003 Sr01 F003 118.41(3) 1_545 1_655 ?
F003 Sr01 F003 118.41(3) 4_776 4_676 ?
F003 Sr01 F003 118.41(3) 4_776 4_786 ?
F003 Sr01 F003 118.41(3) 4_786 4_676 ?
F003 Sr01 F003 180.0 4_676 1_655 ?
F003 Sr01 O004 54.99(7) 4_676 4_676 ?
F003 Sr01 O004 54.99(7) 1_655 1_655 ?
F003 Sr01 O004 81.99(6) 4_786 4_676 ?
F003 Sr01 O004 98.01(6) 4_676 2_775 ?
F003 Sr01 O004 113.50(7) . 1_655 ?
F003 Sr01 O004 66.50(7) 1_545 5_556 ?
F003 Sr01 O004 125.01(7) 1_545 6_766 ?
F003 Sr01 O004 54.99(7) . 2_775 ?
F003 Sr01 O004 66.50(7) 4_676 3_565 ?
F003 Sr01 O004 125.01(7) . 5_556 ?
F003 Sr01 O004 54.99(7) 4_786 6_766 ?
F003 Sr01 O004 113.50(7) 4_776 4_676 ?
F003 Sr01 O004 98.01(6) 1_655 5_556 ?
F003 Sr01 O004 81.99(6) . 3_565 ?
F003 Sr01 O004 125.01(7) 1_655 4_676 ?
F003 Sr01 O004 81.99(6) 4_776 6_766 ?
F003 Sr01 O004 98.01(6) 1_545 4_676 ?
F003 Sr01 O004 113.50(7) 4_786 5_556 ?
F003 Sr01 O004 54.99(7) 1_545 3_565 ?
F003 Sr01 O004 81.99(6) 4_676 5_556 ?
F003 Sr01 O004 98.01(6) 4_776 3_565 ?
F003 Sr01 O004 125.01(7) 4_776 2_775 ?
F003 Sr01 O004 125.01(7) 4_786 3_565 ?
F003 Sr01 O004 113.50(7) 1_545 2_775 ?
F003 Sr01 O004 66.50(7) 1_655 6_766 ?
F003 Sr01 O004 81.99(6) 1_655 2_775 ?
F003 Sr01 O004 66.50(7) . 4_676 ?
F003 Sr01 O004 66.50(7) 4_786 2_775 ?
F003 Sr01 O004 81.99(6) 1_545 1_655 ?
F003 Sr01 O004 66.50(7) 4_776 1_655 ?
F003 Sr01 O004 98.01(6) . 6_766 ?
F003 Sr01 O004 98.01(6) 4_786 1_655 ?
F003 Sr01 O004 113.50(7) 4_676 6_766 ?
F003 Sr01 O004 125.01(7) 4_676 1_655 ?
F003 Sr01 O004 113.50(7) 1_655 3_565 ?
F003 Sr01 O004 54.99(7) 4_776 5_556 ?
O004 Sr01 O004 58.84(6) 6_766 5_556 ?
O004 Sr01 O004 58.84(6) 4_676 5_556 ?
O004 Sr01 O004 58.84(6) 3_565 1_655 ?
O004 Sr01 O004 58.84(6) 6_766 4_676 ?
O004 Sr01 O004 121.16(6) 3_565 4_676 ?
O004 Sr01 O004 121.16(6) 3_565 5_556 ?
O004 Sr01 O004 180.0 5_556 2_775 ?
O004 Sr01 O004 58.84(6) 3_565 2_775 ?
O004 Sr01 O004 121.16(6) 6_766 1_655 ?
O004 Sr01 O004 58.84(6) 1_655 2_775 ?
O004 Sr01 O004 121.16(6) 6_766 2_775 ?
O004 Sr01 O004 121.16(6) 1_655 5_556 ?
O004 Sr01 O004 121.16(6) 4_676 2_775 ?
O004 Sr01 O004 180.0 6_766 3_565 ?
O004 Sr01 O004 180.0 4_676 1_655 ?
O004 Mg02 O004 83.99(8) 5_455 4_575 ?
O004 Mg02 O004 180.0 4_575 . ?
O004 Mg02 O004 96.01(8) 2_675 6_665 ?
O004 Mg02 O004 83.99(8) 2_675 . ?
O004 Mg02 O004 96.01(8) 6_665 . ?
O004 Mg02 O004 96.01(8) 4_575 3_465 ?
O004 Mg02 O004 96.01(8) 5_455 . ?
O004 Mg02 O004 83.99(8) 4_575 6_665 ?
O004 Mg02 O004 96.01(8) 5_455 3_465 ?
O004 Mg02 O004 83.99(8) 5_455 6_665 ?
O004 Mg02 O004 83.99(8) 2_675 3_465 ?
O004 Mg02 O004 180.0 5_455 2_675 ?
O004 Mg02 O004 96.01(8) 2_675 4_575 ?
O004 Mg02 O004 180.0 6_665 3_465 ?
O004 Mg02 O004 83.99(8) 3_465 . ?
O004 Mg02 Be06 103.01(10) 2_675 1_445 ?
O004 Mg02 Be06 112.99(7) 3_465 4_675 ?
O004 Mg02 Be06 112.99(7) . 4_685 ?
O004 Mg02 Be06 67.01(7) 2_675 . ?
O004 Mg02 Be06 67.01(7) . 1_445 ?
O004 Mg02 Be06 152.59(6) 5_455 1_455 ?
O004 Mg02 Be06 67.01(7) 3_465 1_455 ?
O004 Mg02 Be06 152.59(6) . 4_575 ?
O004 Mg02 Be06 76.99(10) 6_665 . ?
O004 Mg02 Be06 76.99(10) . 4_675 ?
O004 Mg02 Be06 103.01(10) 3_465 . ?
O004 Mg02 Be06 76.99(10) 2_675 4_685 ?
O004 Mg02 Be06 27.41(6) 2_675 1_455 ?
O004 Mg02 Be06 76.99(10) 4_575 1_455 ?
O004 Mg02 Be06 152.59(6) 6_665 1_445 ?
O004 Mg02 Be06 103.01(10) . 1_455 ?
O004 Mg02 Be06 112.99(7) 5_455 . ?
O004 Mg02 Be06 67.01(7) 5_455 4_575 ?
O004 Mg02 Be06 103.01(10) 4_575 4_675 ?
O004 Mg02 Be06 27.41(6) 4_575 4_575 ?
O004 Mg02 Be06 76.99(10) 5_455 1_445 ?
O004 Mg02 Be06 103.01(10) 6_665 4_575 ?
O004 Mg02 Be06 27.41(6) 3_465 1_445 ?
O004 Mg02 Be06 27.41(6) 5_455 4_675 ?
O004 Mg02 Be06 152.59(6) 3_465 4_685 ?
O004 Mg02 Be06 152.59(6) 2_675 4_675 ?
O004 Mg02 Be06 27.41(6) 6_665 4_685 ?
O004 Mg02 Be06 112.99(7) 2_675 4_575 ?
O004 Mg02 Be06 112.99(7) 6_665 1_455 ?
O004 Mg02 Be06 76.99(10) 3_465 4_575 ?
O004 Mg02 Be06 152.59(6) 4_575 . ?
O004 Mg02 Be06 112.99(7) 4_575 1_445 ?
O004 Mg02 Be06 67.01(7) 4_575 4_685 ?
O004 Mg02 Be06 67.01(7) 6_665 4_675 ?
O004 Mg02 Be06 27.41(6) . . ?
O004 Mg02 Be06 103.01(10) 5_455 4_685 ?
Be06 Mg02 Be06 92.38(13) 4_675 4_685 ?
Be06 Mg02 Be06 87.62(13) 4_675 1_445 ?
Be06 Mg02 Be06 87.62(13) 1_455 4_685 ?
Be06 Mg02 Be06 180.0 4_685 1_445 ?
Be06 Mg02 Be06 87.62(13) 1_455 4_575 ?
Be06 Mg02 Be06 87.62(13) . 4_685 ?
Be06 Mg02 Be06 92.38(13) 1_455 . ?
Be06 Mg02 Be06 87.62(13) 4_575 1_445 ?
Be06 Mg02 Be06 180.0 4_575 . ?
Be06 Mg02 Be06 92.38(13) . 1_445 ?
Be06 Mg02 Be06 92.38(13) 1_455 1_445 ?
Be06 Mg02 Be06 180.0 4_675 1_455 ?
Be06 Mg02 Be06 92.38(13) 4_675 4_575 ?
Be06 Mg02 Be06 87.62(13) 4_675 . ?
Be06 Mg02 Be06 92.38(13) 4_575 4_685 ?
Sr01 F003 Sr01 118.41(3) . 1_565 ?
Sr01 F003 Sr01 118.41(3) 1_565 1_455 ?
Sr01 F003 Sr01 118.41(3) . 1_455 ?
Be06 F003 Sr01 97.31(6) . 1_565 ?
Be06 F003 Sr01 97.31(6) . . ?
Be06 F003 Sr01 97.31(6) . 1_455 ?
Mg02 O004 Sr01 94.86(7) . 1_455 ?
B005 O004 Sr01 107.1(2) . 1_455 ?
B005 O004 Mg02 114.37(18) . . ?
B005 O004 Be06 125.18(15) . . ?
Be06 O004 Sr01 89.4(2) . 1_455 ?
Be06 O004 Mg02 115.73(16) . . ?
O004 B005 O004 119.996(5) 2_665 3_565 ?
O004 B005 O004 119.996(6) . 3_565 ?
O004 B005 O004 119.996(6) . 2_665 ?
Sr01 Be06 Sr01 88.22(12) . 1_565 ?
Sr01 Be06 Sr01 88.22(12) 1_565 1_455 ?
Sr01 Be06 Sr01 88.22(12) . 1_455 ?
Mg02 Be06 Sr01 131.592(12) 1_665 1_455 ?
Mg02 Be06 Sr01 70.078(11) 1_655 . ?
Mg02 Be06 Sr01 131.592(12) . . ?
Mg02 Be06 Sr01 70.078(11) . 1_455 ?
Mg02 Be06 Sr01 131.592(12) 1_655 1_455 ?
Mg02 Be06 Sr01 131.592(12) 1_655 1_565 ?
Mg02 Be06 Sr01 131.592(12) 1_665 . ?
Mg02 Be06 Sr01 70.078(11) 1_665 1_565 ?
Mg02 Be06 Sr01 131.592(12) . 1_565 ?
Mg02 Be06 Mg02 92.38(13) . 1_665 ?
Mg02 Be06 Mg02 92.38(13) 1_655 . ?
Mg02 Be06 Mg02 92.38(13) 1_655 1_665 ?
F003 Be06 Sr01 53.49(9) . 1_565 ?
F003 Be06 Sr01 53.49(9) . . ?
F003 Be06 Sr01 53.49(9) . 1_455 ?
F003 Be06 Mg02 123.57(9) . 1_665 ?
F003 Be06 Mg02 123.57(9) . . ?
F003 Be06 Mg02 123.57(9) . 1_655 ?
F003 Be06 O004 104.8(2) . 3_575 ?
F003 Be06 O004 104.8(2) . . ?
F003 Be06 O004 104.8(2) . 2_775 ?
O004 Be06 Sr01 148.9(2) . 1_565 ?
O004 Be06 Sr01 61.02(13) 3_575 1_565 ?
O004 Be06 Sr01 148.9(2) 3_575 . ?
O004 Be06 Sr01 61.02(13) 2_775 . ?
O004 Be06 Sr01 94.74(12) 2_775 1_565 ?
O004 Be06 Sr01 148.9(2) 2_775 1_455 ?
O004 Be06 Sr01 94.74(12) . . ?
O004 Be06 Sr01 94.74(12) 3_575 1_455 ?
O004 Be06 Sr01 61.02(13) . 1_455 ?
O004 Be06 Mg02 77.75(14) . 1_655 ?
O004 Be06 Mg02 36.86(11) . . ?
O004 Be06 Mg02 126.2(3) . 1_665 ?
O004 Be06 Mg02 36.86(11) 2_775 1_655 ?
O004 Be06 Mg02 36.86(11) 3_575 1_665 ?
O004 Be06 Mg02 126.2(3) 3_575 1_655 ?
O004 Be06 Mg02 77.75(14) 2_775 1_665 ?
O004 Be06 Mg02 77.75(14) 3_575 . ?
O004 Be06 Mg02 126.2(3) 2_775 . ?
O004 Be06 O004 113.75(18) 2_775 . ?
O004 Be06 O004 113.75(18) . 3_575 ?
O004 Be06 O004 113.75(18) 2_775 3_575 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sr01 F003 Be06 Sr01 120.000(1) . . . 1_455 ?
Sr01 F003 Be06 Sr01 -120.000(0) 1_565 . . 1_455 ?
Sr01 F003 Be06 Mg02 0.000(1) 1_565 . . 1_665 ?
Sr01 F003 Be06 Mg02 120.000(0) . . . . ?
Sr01 F003 Be06 Mg02 -120.000(0) 1_565 . . . ?
Sr01 F003 Be06 Mg02 0.000(0) 1_455 . . . ?
Sr01 F003 Be06 Mg02 0.000(1) . . . 1_655 ?
Sr01 F003 Be06 O004 84.91(7) 1_455 . . 3_575 ?
Sr01 F003 Be06 O004 84.91(7) . . . . ?
Sr01 F003 Be06 O004 -155.09(7) 1_455 . . 2_775 ?
Sr01 F003 Be06 O004 -35.09(7) 1_455 . . . ?
Sr01 F003 Be06 O004 -35.09(7) 1_565 . . 3_575 ?
Sr01 F003 Be06 O004 -155.09(7) . . . 3_575 ?
Sr01 F003 Be06 O004 -35.09(7) . . . 2_775 ?
Sr01 F003 Be06 O004 84.91(7) 1_565 . . 2_775 ?
Sr01 F003 Be06 O004 -155.09(7) 1_565 . . . ?
Sr01 O004 B005 O004 -120.9(4) 1_455 . . 3_565 ?
Sr01 O004 B005 O004 60.4(4) 1_455 . . 2_665 ?
Sr01 O004 Be06 Sr01 85.33(11) 1_455 . . . ?
Sr01 O004 Be06 Sr01 -9.1(4) 1_455 . . 1_565 ?
Sr01 O004 Be06 Mg02 -95.13(13) 1_455 . . . ?
Sr01 O004 Be06 Mg02 -122.35(13) 1_455 . . 1_665 ?
Sr01 O004 Be06 Mg02 153.74(8) 1_455 . . 1_655 ?
Sr01 O004 Be06 F003 31.88(5) 1_455 . . . ?
Sr01 O004 Be06 O004 -81.9(3) 1_455 . . 3_575 ?
Sr01 O004 Be06 O004 145.7(3) 1_455 . . 2_775 ?
Mg02 O004 B005 O004 -43.3(5) . . . 2_665 ?
Mg02 O004 B005 O004 135.4(3) . . . 3_565 ?
Mg02 O004 Be06 Sr01 95.13(13) . . . 1_455 ?
Mg02 O004 Be06 Sr01 86.0(5) . . . 1_565 ?
Mg02 O004 Be06 Sr01 -179.54(8) . . . . ?
Mg02 O004 Be06 Mg02 -27.2(2) . . . 1_665 ?
Mg02 O004 Be06 Mg02 -111.13(10) . . . 1_655 ?
Mg02 O004 Be06 F003 127.01(11) . . . . ?
Mg02 O004 Be06 O004 -119.2(2) . . . 2_775 ?
Mg02 O004 Be06 O004 13.2(4) . . . 3_575 ?
B005 O004 Be06 Sr01 -119.8(3) . . . 1_565 ?
B005 O004 Be06 Sr01 -110.7(3) . . . 1_455 ?
B005 O004 Be06 Sr01 -25.4(4) . . . . ?
B005 O004 Be06 Mg02 154.2(4) . . . . ?
B005 O004 Be06 Mg02 43.0(3) . . . 1_655 ?
B005 O004 Be06 Mg02 126.9(3) . . . 1_665 ?
B005 O004 Be06 F003 -78.8(3) . . . . ?
B005 O004 Be06 O004 35.0(6) . . . 2_775 ?
B005 O004 Be06 O004 167.4(3) . . . 3_575 ?
Be06 O004 B005 O004 162.2(3) . . . 2_665 ?
Be06 O004 B005 O004 -19.1(6) . . . 3_565 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_10_300k_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2500237'
loop_
_audit_author_name
_audit_author_address
'Tong Wu'
;Technical Institute of Physics and Chemistry CAS
China
;
_audit_update_record             
;
2025-11-04 deposited with the CCDC.	2025-12-15 downloaded from the CCDC.
;
_audit_creation_date             2025-11-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B2 Be2 F2 O6 Sr1 Zn1'
_chemical_formula_sum            'B2 Be2 F2 O6 Sr Zn'
_chemical_formula_weight         326.63
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Be Be 0.0005 0.0002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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      trigonal
_space_group_IT_number           147
_space_group_name_H-M_alt        'P -3'
_space_group_name_Hall           '-P 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'

_cell_length_a                   4.5577(2)
_cell_length_b                   4.5577(2)
_cell_length_c                   7.3840(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     132.835(17)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    281
_cell_measurement_temperature    287.0
_cell_measurement_theta_max      2.759
_cell_measurement_theta_min      30.391
_shelx_estimated_absorpt_T_max   0.388
_shelx_estimated_absorpt_T_min   0.158
_exptl_absorpt_coefficient_mu    14.589
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.3121
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    4.083
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             152
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3459
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.391
_diffrn_reflns_theta_min         2.759
_diffrn_ambient_temperature      287.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  apex
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                271
_reflns_number_total             281
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.692
_refine_diff_density_min         -0.671
_refine_diff_density_rms         0.227
_refine_ls_extinction_coef       0.20(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.300
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     24
_refine_ls_number_reflns         281
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0205
_refine_ls_restrained_S_all      1.300
_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)+(0.0310P)²+0.0063P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0570
_refine_ls_wR_factor_ref         0.0571
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     iterative
_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
Sr01 Sr 1.000000 0.000000 0.500000 0.0084(2) Uani 1 6 d S T P . .
Zn02 Zn 0.000000 0.000000 1.000000 0.0052(2) Uani 1 6 d S T P . .
F003 F 0.666667 0.333333 0.5459(2) 0.0098(4) Uani 1 3 d S T P . .
O004 O 0.3441(2) 0.3703(3) 0.81776(16) 0.0063(3) Uani 1 1 d . . . . .
B005 B 0.333333 0.666667 0.8174(5) 0.0055(6) Uani 1 3 d S T P . .
Be1 Be 0.666667 0.333333 0.7631(6) 0.0063(6) Uani 1 3 d S T 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
Sr01 F003 2.6531(3) 4_756 ?
Sr01 F003 2.6531(3) 4_766 ?
Sr01 F003 2.6531(3) 1_655 ?
Sr01 F003 2.6531(3) . ?
Sr01 F003 2.6531(3) 4_656 ?
Sr01 F003 2.6531(3) 1_545 ?
Sr01 O004 2.8578(11) 4_656 ?
Sr01 O004 2.8578(11) 2_655 ?
Sr01 O004 2.8578(11) 3_655 ?
Sr01 O004 2.8578(11) 1_655 ?
Sr01 O004 2.8578(11) 6_656 ?
Sr01 O004 2.8578(11) 5_656 ?
Zn02 O004 2.1148(11) . ?
Zn02 O004 2.1148(11) 4_557 ?
Zn02 O004 2.1148(11) 6_557 ?
Zn02 O004 2.1148(11) 5_557 ?
Zn02 O004 2.1148(11) 2 ?
Zn02 O004 2.1148(11) 3 ?
F003 Be1 1.604(5) . ?
O004 B005 1.3758(11) . ?
O004 Be1 1.6125(15) . ?

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
F003 Sr01 F003 180.0 4_756 . ?
F003 Sr01 F003 118.393(17) 4_656 4_766 ?
F003 Sr01 F003 61.607(17) 4_656 1_545 ?
F003 Sr01 F003 118.394(17) 4_756 4_656 ?
F003 Sr01 F003 61.606(17) 4_756 1_545 ?
F003 Sr01 F003 61.606(17) . 4_656 ?
F003 Sr01 F003 61.606(17) . 4_766 ?
F003 Sr01 F003 61.606(17) 4_756 1_655 ?
F003 Sr01 F003 61.607(17) 1_655 4_766 ?
F003 Sr01 F003 118.394(17) . 1_655 ?
F003 Sr01 F003 118.394(17) . 1_545 ?
F003 Sr01 F003 180.0 4_656 1_655 ?
F003 Sr01 F003 118.393(17) 1_655 1_545 ?
F003 Sr01 F003 118.394(17) 4_756 4_766 ?
F003 Sr01 F003 180.0 4_766 1_545 ?
F003 Sr01 O004 98.09(4) 1_655 6_656 ?
F003 Sr01 O004 66.27(4) 4_656 2_655 ?
F003 Sr01 O004 113.73(4) 4_756 6_656 ?
F003 Sr01 O004 66.27(4) 4_756 3_655 ?
F003 Sr01 O004 66.27(4) 4_766 1_655 ?
F003 Sr01 O004 98.09(4) 4_656 3_655 ?
F003 Sr01 O004 81.91(4) 4_656 6_656 ?
F003 Sr01 O004 125.19(4) 4_766 3_655 ?
F003 Sr01 O004 98.09(4) 4_766 2_655 ?
F003 Sr01 O004 54.81(4) 4_756 5_656 ?
F003 Sr01 O004 113.73(4) 1_545 1_655 ?
F003 Sr01 O004 113.73(4) 4_656 5_656 ?
F003 Sr01 O004 66.27(4) . 6_656 ?
F003 Sr01 O004 81.91(4) 4_766 5_656 ?
F003 Sr01 O004 125.19(4) 4_756 2_655 ?
F003 Sr01 O004 125.19(4) 1_545 6_656 ?
F003 Sr01 O004 81.91(4) 4_756 4_656 ?
F003 Sr01 O004 113.73(4) . 3_655 ?
F003 Sr01 O004 98.09(4) . 4_656 ?
F003 Sr01 O004 81.91(4) 1_655 3_655 ?
F003 Sr01 O004 54.81(4) 4_656 4_656 ?
F003 Sr01 O004 54.81(4) 1_545 3_655 ?
F003 Sr01 O004 125.19(4) 1_655 4_656 ?
F003 Sr01 O004 125.19(4) . 5_656 ?
F003 Sr01 O004 113.73(4) 4_766 4_656 ?
F003 Sr01 O004 66.27(4) 1_655 5_656 ?
F003 Sr01 O004 66.27(4) 1_545 4_656 ?
F003 Sr01 O004 98.09(4) 1_545 5_656 ?
F003 Sr01 O004 98.09(4) 4_756 1_655 ?
F003 Sr01 O004 54.81(4) . 2_655 ?
F003 Sr01 O004 81.91(4) . 1_655 ?
F003 Sr01 O004 113.73(4) 1_655 2_655 ?
F003 Sr01 O004 125.19(4) 4_656 1_655 ?
F003 Sr01 O004 81.91(4) 1_545 2_655 ?
F003 Sr01 O004 54.81(4) 1_655 1_655 ?
F003 Sr01 O004 54.81(4) 4_766 6_656 ?
O004 Sr01 O004 59.26(3) 4_656 5_656 ?
O004 Sr01 O004 180.00(5) 4_656 1_655 ?
O004 Sr01 O004 120.74(3) 6_656 2_655 ?
O004 Sr01 O004 120.74(3) 1_655 5_656 ?
O004 Sr01 O004 120.74(3) 4_656 2_655 ?
O004 Sr01 O004 59.26(3) 6_656 5_656 ?
O004 Sr01 O004 180.0 5_656 2_655 ?
O004 Sr01 O004 120.74(3) 3_655 5_656 ?
O004 Sr01 O004 120.74(3) 4_656 3_655 ?
O004 Sr01 O004 180.0 6_656 3_655 ?
O004 Sr01 O004 59.26(3) 1_655 2_655 ?
O004 Sr01 O004 59.26(3) 4_656 6_656 ?
O004 Sr01 O004 59.26(3) 1_655 3_655 ?
O004 Sr01 O004 120.74(3) 1_655 6_656 ?
O004 Sr01 O004 59.26(3) 3_655 2_655 ?
Sr01 Zn02 Sr01 180.0 1_455 1_456 ?
O004 Zn02 Sr01 50.48(3) . 1_455 ?
O004 Zn02 Sr01 50.48(3) 5_557 1_456 ?
O004 Zn02 Sr01 50.48(3) 6_557 1_456 ?
O004 Zn02 Sr01 50.48(3) 2 1_455 ?
O004 Zn02 Sr01 129.52(3) 6_557 1_455 ?
O004 Zn02 Sr01 129.52(3) 2 1_456 ?
O004 Zn02 Sr01 50.48(3) 4_557 1_456 ?
O004 Zn02 Sr01 129.52(3) 3 1_456 ?
O004 Zn02 Sr01 129.52(3) 4_557 1_455 ?
O004 Zn02 Sr01 50.48(3) 3 1_455 ?
O004 Zn02 Sr01 129.52(3) . 1_456 ?
O004 Zn02 Sr01 129.52(3) 5_557 1_455 ?
O004 Zn02 O004 83.84(4) 6_557 4_557 ?
O004 Zn02 O004 96.16(4) 2 4_557 ?
O004 Zn02 O004 180.0 . 4_557 ?
O004 Zn02 O004 96.16(4) 3 4_557 ?
O004 Zn02 O004 83.84(4) 2 3 ?
O004 Zn02 O004 96.16(4) . 5_557 ?
O004 Zn02 O004 96.16(4) 2 6_557 ?
O004 Zn02 O004 83.84(4) . 2 ?
O004 Zn02 O004 96.16(4) 5_557 3 ?
O004 Zn02 O004 180.0 5_557 2 ?
O004 Zn02 O004 180.0 6_557 3 ?
O004 Zn02 O004 96.16(4) . 6_557 ?
O004 Zn02 O004 83.84(4) 5_557 4_557 ?
O004 Zn02 O004 83.84(4) 5_557 6_557 ?
O004 Zn02 O004 83.84(4) . 3 ?
Sr01 F003 Sr01 118.394(17) 1_455 1_565 ?
Sr01 F003 Sr01 118.394(17) . 1_565 ?
Sr01 F003 Sr01 118.394(17) . 1_455 ?
Be1 F003 Sr01 97.34(4) . 1_455 ?
Be1 F003 Sr01 97.34(4) . . ?
Be1 F003 Sr01 97.34(4) . 1_565 ?
Zn02 O004 Sr01 94.71(4) . 1_455 ?
B005 O004 Sr01 107.44(14) . 1_455 ?
B005 O004 Zn02 114.12(12) . . ?
B005 O004 Be1 125.74(10) . . ?
Be1 O004 Sr01 89.58(13) . 1_455 ?
Be1 O004 Zn02 115.26(11) . . ?
O004 B005 O004 119.999(2) 2_665 . ?
O004 B005 O004 120.000(2) 3_565 . ?
O004 B005 O004 120.000(2) 3_565 2_665 ?
Sr01 Be1 Sr01 88.33(9) . 1_565 ?
Sr01 Be1 Sr01 88.33(9) . 1_455 ?
Sr01 Be1 Sr01 88.33(9) 1_455 1_565 ?
F003 Be1 Sr01 53.56(6) . . ?
F003 Be1 Sr01 53.56(6) . 1_565 ?
F003 Be1 Sr01 53.56(6) . 1_455 ?
F003 Be1 O004 104.49(15) . . ?
F003 Be1 O004 104.49(15) . 2_655 ?
F003 Be1 O004 104.49(15) . 3_665 ?
O004 Be1 Sr01 94.34(8) 3_665 . ?
O004 Be1 Sr01 60.89(9) 2_655 . ?
O004 Be1 Sr01 148.94(16) 2_655 1_565 ?
O004 Be1 Sr01 148.94(16) . . ?
O004 Be1 Sr01 94.34(8) . 1_565 ?
O004 Be1 Sr01 60.89(9) 3_665 1_565 ?
O004 Be1 Sr01 148.94(16) 3_665 1_455 ?
O004 Be1 Sr01 60.89(9) . 1_455 ?
O004 Be1 Sr01 94.34(8) 2_655 1_455 ?
O004 Be1 O004 113.96(12) 2_655 . ?
O004 Be1 O004 113.96(12) 2_655 3_665 ?
O004 Be1 O004 113.96(12) 3_665 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sr01 F003 Be1 Sr01 120.000(0) . . . 1_565 ?
Sr01 F003 Be1 Sr01 120.000(0) 1_565 . . 1_455 ?
Sr01 F003 Be1 Sr01 -120.000(0) . . . 1_455 ?
Sr01 F003 Be1 Sr01 -120.000(0) 1_565 . . . ?
Sr01 F003 Be1 Sr01 -120.000(0) 1_455 . . 1_565 ?
Sr01 F003 Be1 O004 -35.37(4) . . . 2_655 ?
Sr01 F003 Be1 O004 84.63(4) . . . 3_665 ?
Sr01 F003 Be1 O004 -35.37(4) 1_565 . . 3_665 ?
Sr01 F003 Be1 O004 84.63(4) 1_565 . . . ?
Sr01 F003 Be1 O004 -155.37(4) 1_455 . . 3_665 ?
Sr01 F003 Be1 O004 84.63(4) 1_455 . . 2_655 ?
Sr01 F003 Be1 O004 -155.37(4) 1_565 . . 2_655 ?
Sr01 F003 Be1 O004 -35.37(4) 1_455 . . . ?
Sr01 F003 Be1 O004 -155.37(4) . . . . ?
Sr01 O004 B005 O004 59.7(3) 1_455 . . 3_565 ?
Sr01 O004 B005 O004 -120.8(2) 1_455 . . 2_665 ?
Sr01 O004 Be1 Sr01 -8.3(3) 1_455 . . . ?
Sr01 O004 Be1 Sr01 85.65(7) 1_455 . . 1_565 ?
Sr01 O004 Be1 F003 32.21(3) 1_455 . . . ?
Sr01 O004 Be1 O004 145.6(2) 1_455 . . 3_665 ?
Sr01 O004 Be1 O004 -81.2(2) 1_455 . . 2_655 ?
Zn02 O004 B005 O004 -43.9(3) . . . 3_565 ?
Zn02 O004 B005 O004 135.7(2) . . . 2_665 ?
Zn02 O004 Be1 Sr01 86.7(3) . . . . ?
Zn02 O004 Be1 Sr01 95.00(8) . . . 1_455 ?
Zn02 O004 Be1 Sr01 -179.35(5) . . . 1_565 ?
Zn02 O004 Be1 F003 127.21(7) . . . . ?
Zn02 O004 Be1 O004 13.8(3) . . . 2_655 ?
Zn02 O004 Be1 O004 -119.36(16) . . . 3_665 ?
B005 O004 Be1 Sr01 -111.3(3) . . . 1_455 ?
B005 O004 Be1 Sr01 -25.7(3) . . . 1_565 ?
B005 O004 Be1 Sr01 -119.66(19) . . . . ?
B005 O004 Be1 F003 -79.1(3) . . . . ?
B005 O004 Be1 O004 167.44(16) . . . 2_655 ?
B005 O004 Be1 O004 34.3(4) . . . 3_665 ?
Be1 O004 B005 O004 162.16(18) . . . 3_565 ?
Be1 O004 B005 O004 -18.3(5) . . . 2_665 ?

_olex2_submission_special_instructions 'No special instructions were received'
