# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_eu
_database_code_depnum_ccdc_archive 'CCDC 2154399'
loop_
_audit_author_name
_audit_author_address
'Winnie Wong-Ng'
;National Institute of Standards and Technology
United States of America
;
_audit_update_record             
;
2022-09-22 deposited with the CCDC.	2022-10-24 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT042_eu                  
;
PROBLEM: Calc. and Reported MoietyFormula Strings  Differ     Please Check
RESPONSE: In organic chemistry, the term moiety is used to denote a portion of a molecule, which may be a functional group, or describe a portion of a molecule with multiple functional groups which share common structural aspects. Straightly speaking, a moiety formula should not apply to an inter-metallic compound, but some choose to use the empirical formula. That was what we did.
;
_vrf_PLAT077_eu                  
;
PROBLEM: Unitcell Contains Non-integer Number of Atoms ..     Please Check
RESPONSE: If all Eu sites are filled, there are a total of 8 atoms Eu per unit cell (integer). Now there are much lesser number of Eu and there is also a disordered situation (the final Eu occupancy is an average value throughout), therefore a decimal value is possible.
;
# Added during the CSD deposition process: Thursday 22 September 2022 04:40 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Eu2.22 Ga11 Sn35'
_chemical_formula_sum            'Eu2.22 Ga11 Sn35'
_chemical_formula_weight         5258.42

_Shelx_chemical_formula_moiety_comment 
;
In organic chemistry, the term moiety is used to denote a portion of 
a molecule, which may be a functional group, or describe a portion of 
a molecule with multiple functional groups which share common 
structural aspects. Straightly speaking, there is no need to apply
this to an intermetallic compound, although some might use the 
empirical formula
;

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Eu Eu -0.8137 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2725 0.6088 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -2.6865 3.4096 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           223
_space_group_name_H-M_alt        'P m -3 n'
_space_group_name_Hall           '-P 4n 2 3'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'x+1/2, z+1/2, -y+1/2'
'-x+1/2, z+1/2, y+1/2'
'-x+1/2, -z+1/2, -y+1/2'
'x+1/2, -z+1/2, y+1/2'
'z+1/2, y+1/2, -x+1/2'
'z+1/2, -y+1/2, x+1/2'
'-z+1/2, y+1/2, x+1/2'
'-z+1/2, -y+1/2, -x+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y-1/2, -x-1/2, z-1/2'
'y-1/2, x-1/2, z-1/2'
'-y-1/2, x-1/2, -z-1/2'
'y-1/2, -x-1/2, -z-1/2'
'-x-1/2, -z-1/2, y-1/2'
'x-1/2, -z-1/2, -y-1/2'
'x-1/2, z-1/2, y-1/2'
'-x-1/2, z-1/2, -y-1/2'
'-z-1/2, -y-1/2, x-1/2'
'-z-1/2, y-1/2, -x-1/2'
'z-1/2, -y-1/2, -x-1/2'
'z-1/2, y-1/2, x-1/2'

_cell_length_a                   11.9497(5)
_cell_length_b                   11.9497(5)
_cell_length_c                   11.9497(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1706.4(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9923
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      15.57

_exptl_crystal_description       Block
_exptl_crystal_colour            Black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    5.117
_exptl_crystal_F_000             2231
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    18.017
_shelx_estimated_absorpt_T_min   0.226
_shelx_estimated_absorpt_T_max   0.418
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7654
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_process_details   psi-scans
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.41328
_diffrn_radiation_type           'Synchrotron X-ray'
_diffrn_source                   
'Sector 15 of the Advanced Photon Source, Argonne National Laboratory'
_diffrn_measurement_device_type  'Huber 3-circle diffractometer'
_diffrn_measurement_method       'Phi angle scan '
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39436
_diffrn_reflns_av_unetI/netI     0.0098
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.401
_diffrn_reflns_theta_max         15.572
_diffrn_reflns_theta_full        14.357
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             380
_reflns_number_gt                379
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0080P)²+1.1504P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0338(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         380
_refine_ls_number_parameters     21
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0095
_refine_ls_R_factor_gt           0.0095
_refine_ls_wR_factor_ref         0.0216
_refine_ls_wR_factor_gt          0.0215
_refine_ls_goodness_of_fit_ref   1.224
_refine_ls_restrained_S_all      1.222
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Eu1 Eu 0.500000 0.500000 0.500000 0.0365(7) Uani 0.274(3) 24 d S T . . .
Eu2 Eu 0.500000 0.750000 0.000000 0.0984(12) Uani 0.278(3) 8 d S T . . .
Sn1 Sn 0.68318(2) 0.68318(2) 0.68318(2) 0.01530(11) Uani 0.849(3) 3 d S T P . .
Ga1 Ga 0.68318(2) 0.68318(2) 0.68318(2) 0.01530(11) Uani 0.151(3) 3 d S T P . .
Sn2 Sn 0.61764(2) 0.500000 0.81233(2) 0.01580(10) Uani 0.771(2) 2 d S T P . .
Ga2 Ga 0.61764(2) 0.500000 0.81233(2) 0.01580(10) Uani 0.229(2) 2 d S T P . .
Sn3 Sn 0.750000 0.500000 0.000000 0.01719(17) Uani 0.486(6) 8 d S T P . .
Ga3 Ga 0.750000 0.500000 0.000000 0.01719(17) Uani 0.514(6) 8 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
Eu1 Sn1 3.7912(3) 25_666 ?
Eu1 Sn1 3.7912(3) 28_655 ?
Eu1 Sn1 3.7912(3) 4_566 ?
Eu1 Sn1 3.7912(3) 27_565 ?
Eu1 Sn1 3.7912(3) 3_656 ?
Eu1 Sn1 3.7912(3) 26_556 ?
Eu1 Sn1 3.7912(3) 2_665 ?
Eu1 Sn1 3.7913(2) . ?
Eu1 Sn2 3.9882(2) . ?
Eu1 Sn2 3.9882(2) 29_666 ?
Eu1 Sn2 3.9882(2) 25_666 ?
Eu1 Sn2 3.9882(2) 5 ?
Eu1 Sn2 3.9882(2) 33_666 ?
Eu1 Sn2 3.9882(2) 9 ?
Eu1 Sn2 3.9882(2) 34_565 ?
Eu1 Sn2 3.9882(2) 6_566 ?
Eu1 Sn2 3.9882(2) 30_655 ?
Eu1 Sn2 3.9882(2) 2_665 ?
Eu2 Sn2 3.9912(2) 45_775 ?
Eu2 Sn2 3.9912(2) 2_664 ?
Eu2 Sn2 3.9912(2) 46_766 ?
Eu2 Sn2 3.9912(2) 1_554 ?
Eu2 Sn2 3.9912(2) 25_666 ?
Eu2 Sn2 3.9912(2) 22_464 ?
Eu2 Sn2 3.9912(2) 26_556 ?
Eu2 Sn2 3.9912(2) 21_455 ?
Eu2 Sn3 4.22486(18) 33_666 ?
Eu2 Sn3 4.22486(18) 25_665 ?
Eu2 Sn3 4.22486(19) . ?
Eu2 Sn3 4.22486(18) 9_564 ?
Sn1 Sn1 2.7663(4) 14_666 ?
Sn1 Sn2 2.79042(16) . ?
Sn1 Sn2 2.79045(16) 9 ?
Sn1 Sn2 2.79045(17) 5 ?
Sn2 Sn3 2.7443(2) 1_556 ?
Sn2 Sn2 2.8115(4) 2_665 ?

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
Sn1 Eu1 Sn1 109.5 25_666 28_655 ?
Sn1 Eu1 Sn1 70.5 25_666 4_566 ?
Sn1 Eu1 Sn1 180.0 28_655 4_566 ?
Sn1 Eu1 Sn1 109.5 25_666 27_565 ?
Sn1 Eu1 Sn1 109.5 28_655 27_565 ?
Sn1 Eu1 Sn1 70.5 4_566 27_565 ?
Sn1 Eu1 Sn1 70.5 25_666 3_656 ?
Sn1 Eu1 Sn1 70.5 28_655 3_656 ?
Sn1 Eu1 Sn1 109.471(1) 4_566 3_656 ?
Sn1 Eu1 Sn1 180.0 27_565 3_656 ?
Sn1 Eu1 Sn1 109.471(1) 25_666 26_556 ?
Sn1 Eu1 Sn1 109.5 28_655 26_556 ?
Sn1 Eu1 Sn1 70.5 4_566 26_556 ?
Sn1 Eu1 Sn1 109.471(1) 27_565 26_556 ?
Sn1 Eu1 Sn1 70.5 3_656 26_556 ?
Sn1 Eu1 Sn1 70.5 25_666 2_665 ?
Sn1 Eu1 Sn1 70.5 28_655 2_665 ?
Sn1 Eu1 Sn1 109.5 4_566 2_665 ?
Sn1 Eu1 Sn1 70.5 27_565 2_665 ?
Sn1 Eu1 Sn1 109.5 3_656 2_665 ?
Sn1 Eu1 Sn1 180.0 26_556 2_665 ?
Sn1 Eu1 Sn1 180.0 25_666 . ?
Sn1 Eu1 Sn1 70.5 28_655 . ?
Sn1 Eu1 Sn1 109.5 4_566 . ?
Sn1 Eu1 Sn1 70.5 27_565 . ?
Sn1 Eu1 Sn1 109.5 3_656 . ?
Sn1 Eu1 Sn1 70.5 26_556 . ?
Sn1 Eu1 Sn1 109.5 2_665 . ?
Sn1 Eu1 Sn2 138.056(1) 25_666 . ?
Sn1 Eu1 Sn2 70.318(2) 28_655 . ?
Sn1 Eu1 Sn2 109.682(2) 4_566 . ?
Sn1 Eu1 Sn2 41.944(2) 27_565 . ?
Sn1 Eu1 Sn2 138.056(1) 3_656 . ?
Sn1 Eu1 Sn2 109.682(2) 26_556 . ?
Sn1 Eu1 Sn2 70.318(2) 2_665 . ?
Sn1 Eu1 Sn2 41.944(2) . . ?
Sn1 Eu1 Sn2 41.944(1) 25_666 29_666 ?
Sn1 Eu1 Sn2 70.318(2) 28_655 29_666 ?
Sn1 Eu1 Sn2 109.682(2) 4_566 29_666 ?
Sn1 Eu1 Sn2 109.682(2) 27_565 29_666 ?
Sn1 Eu1 Sn2 70.318(2) 3_656 29_666 ?
Sn1 Eu1 Sn2 138.056(1) 26_556 29_666 ?
Sn1 Eu1 Sn2 41.944(1) 2_665 29_666 ?
Sn1 Eu1 Sn2 138.056(1) . 29_666 ?
Sn2 Eu1 Sn2 109.260(2) . 29_666 ?
Sn1 Eu1 Sn2 41.944(1) 25_666 25_666 ?
Sn1 Eu1 Sn2 109.682(2) 28_655 25_666 ?
Sn1 Eu1 Sn2 70.318(2) 4_566 25_666 ?
Sn1 Eu1 Sn2 138.056(1) 27_565 25_666 ?
Sn1 Eu1 Sn2 41.944(1) 3_656 25_666 ?
Sn1 Eu1 Sn2 70.318(2) 26_556 25_666 ?
Sn1 Eu1 Sn2 109.682(2) 2_665 25_666 ?
Sn1 Eu1 Sn2 138.056(1) . 25_666 ?
Sn2 Eu1 Sn2 180.0 . 25_666 ?
Sn2 Eu1 Sn2 70.740(2) 29_666 25_666 ?
Sn1 Eu1 Sn2 138.056(1) 25_666 5 ?
Sn1 Eu1 Sn2 109.682(2) 28_655 5 ?
Sn1 Eu1 Sn2 70.318(2) 4_566 5 ?
Sn1 Eu1 Sn2 70.318(2) 27_565 5 ?
Sn1 Eu1 Sn2 109.682(2) 3_656 5 ?
Sn1 Eu1 Sn2 41.944(1) 26_556 5 ?
Sn1 Eu1 Sn2 138.056(1) 2_665 5 ?
Sn1 Eu1 Sn2 41.944(1) . 5 ?
Sn2 Eu1 Sn2 70.740(2) . 5 ?
Sn2 Eu1 Sn2 180.0 29_666 5 ?
Sn2 Eu1 Sn2 109.260(2) 25_666 5 ?
Sn1 Eu1 Sn2 41.944(1) 25_666 33_666 ?
Sn1 Eu1 Sn2 138.056(1) 28_655 33_666 ?
Sn1 Eu1 Sn2 41.944(1) 4_566 33_666 ?
Sn1 Eu1 Sn2 70.318(2) 27_565 33_666 ?
Sn1 Eu1 Sn2 109.682(2) 3_656 33_666 ?
Sn1 Eu1 Sn2 109.682(2) 26_556 33_666 ?
Sn1 Eu1 Sn2 70.318(2) 2_665 33_666 ?
Sn1 Eu1 Sn2 138.056(1) . 33_666 ?
Sn2 Eu1 Sn2 109.260(2) . 33_666 ?
Sn2 Eu1 Sn2 70.740(2) 29_666 33_666 ?
Sn2 Eu1 Sn2 70.740(2) 25_666 33_666 ?
Sn2 Eu1 Sn2 109.260(2) 5 33_666 ?
Sn1 Eu1 Sn2 138.056(1) 25_666 9 ?
Sn1 Eu1 Sn2 41.944(1) 28_655 9 ?
Sn1 Eu1 Sn2 138.056(1) 4_566 9 ?
Sn1 Eu1 Sn2 109.682(2) 27_565 9 ?
Sn1 Eu1 Sn2 70.318(2) 3_656 9 ?
Sn1 Eu1 Sn2 70.318(2) 26_556 9 ?
Sn1 Eu1 Sn2 109.682(2) 2_665 9 ?
Sn1 Eu1 Sn2 41.944(1) . 9 ?
Sn2 Eu1 Sn2 70.740(2) . 9 ?
Sn2 Eu1 Sn2 109.260(2) 29_666 9 ?
Sn2 Eu1 Sn2 109.260(2) 25_666 9 ?
Sn2 Eu1 Sn2 70.740(2) 5 9 ?
Sn2 Eu1 Sn2 180.0 33_666 9 ?
Sn1 Eu1 Sn2 70.318(2) 25_666 34_565 ?
Sn1 Eu1 Sn2 109.682(2) 28_655 34_565 ?
Sn1 Eu1 Sn2 70.318(2) 4_566 34_565 ?
Sn1 Eu1 Sn2 41.944(1) 27_565 34_565 ?
Sn1 Eu1 Sn2 138.056(1) 3_656 34_565 ?
Sn1 Eu1 Sn2 138.056(1) 26_556 34_565 ?
Sn1 Eu1 Sn2 41.944(1) 2_665 34_565 ?
Sn1 Eu1 Sn2 109.682(2) . 34_565 ?
Sn2 Eu1 Sn2 70.740(2) . 34_565 ?
Sn2 Eu1 Sn2 70.740(2) 29_666 34_565 ?
Sn2 Eu1 Sn2 109.260(2) 25_666 34_565 ?
Sn2 Eu1 Sn2 109.260(2) 5 34_565 ?
Sn2 Eu1 Sn2 41.277(5) 33_666 34_565 ?
Sn2 Eu1 Sn2 138.723(5) 9 34_565 ?
Sn1 Eu1 Sn2 109.682(2) 25_666 6_566 ?
Sn1 Eu1 Sn2 138.056(1) 28_655 6_566 ?
Sn1 Eu1 Sn2 41.944(1) 4_566 6_566 ?
Sn1 Eu1 Sn2 41.944(1) 27_565 6_566 ?
Sn1 Eu1 Sn2 138.056(1) 3_656 6_566 ?
Sn1 Eu1 Sn2 70.318(2) 26_556 6_566 ?
Sn1 Eu1 Sn2 109.682(2) 2_665 6_566 ?
Sn1 Eu1 Sn2 70.318(2) . 6_566 ?
Sn2 Eu1 Sn2 70.740(2) . 6_566 ?
Sn2 Eu1 Sn2 138.723(5) 29_666 6_566 ?
Sn2 Eu1 Sn2 109.260(2) 25_666 6_566 ?
Sn2 Eu1 Sn2 41.277(5) 5 6_566 ?
Sn2 Eu1 Sn2 70.740(2) 33_666 6_566 ?
Sn2 Eu1 Sn2 109.260(2) 9 6_566 ?
Sn2 Eu1 Sn2 70.740(2) 34_565 6_566 ?
Sn1 Eu1 Sn2 70.318(2) 25_666 30_655 ?
Sn1 Eu1 Sn2 41.944(1) 28_655 30_655 ?
Sn1 Eu1 Sn2 138.056(1) 4_566 30_655 ?
Sn1 Eu1 Sn2 138.056(1) 27_565 30_655 ?
Sn1 Eu1 Sn2 41.944(1) 3_656 30_655 ?
Sn1 Eu1 Sn2 109.682(2) 26_556 30_655 ?
Sn1 Eu1 Sn2 70.318(2) 2_665 30_655 ?
Sn1 Eu1 Sn2 109.682(2) . 30_655 ?
Sn2 Eu1 Sn2 109.260(2) . 30_655 ?
Sn2 Eu1 Sn2 41.277(5) 29_666 30_655 ?
Sn2 Eu1 Sn2 70.740(2) 25_666 30_655 ?
Sn2 Eu1 Sn2 138.723(5) 5 30_655 ?
Sn2 Eu1 Sn2 109.260(2) 33_666 30_655 ?
Sn2 Eu1 Sn2 70.740(2) 9 30_655 ?
Sn2 Eu1 Sn2 109.260(2) 34_565 30_655 ?
Sn2 Eu1 Sn2 180.0 6_566 30_655 ?
Sn1 Eu1 Sn2 109.682(2) 25_666 2_665 ?
Sn1 Eu1 Sn2 41.944(1) 28_655 2_665 ?
Sn1 Eu1 Sn2 138.056(1) 4_566 2_665 ?
Sn1 Eu1 Sn2 70.318(2) 27_565 2_665 ?
Sn1 Eu1 Sn2 109.682(2) 3_656 2_665 ?
Sn1 Eu1 Sn2 138.056(1) 26_556 2_665 ?
Sn1 Eu1 Sn2 41.944(1) 2_665 2_665 ?
Sn1 Eu1 Sn2 70.318(2) . 2_665 ?
Sn2 Eu1 Sn2 41.277(5) . 2_665 ?
Sn2 Eu1 Sn2 70.740(2) 29_666 2_665 ?
Sn2 Eu1 Sn2 138.723(5) 25_666 2_665 ?
Sn2 Eu1 Sn2 109.260(2) 5 2_665 ?
Sn2 Eu1 Sn2 109.260(2) 33_666 2_665 ?
Sn2 Eu1 Sn2 70.740(2) 9 2_665 ?
Sn2 Eu1 Sn2 70.740(2) 34_565 2_665 ?
Sn2 Eu1 Sn2 109.260(2) 6_566 2_665 ?
Sn2 Eu1 Sn2 70.740(2) 30_655 2_665 ?
Sn2 Eu2 Sn2 162.948(5) 45_775 2_664 ?
Sn2 Eu2 Sn2 41.244(5) 45_775 46_766 ?
Sn2 Eu2 Sn2 124.073(2) 2_664 46_766 ?
Sn2 Eu2 Sn2 124.073(2) 45_775 1_554 ?
Sn2 Eu2 Sn2 41.244(5) 2_664 1_554 ?
Sn2 Eu2 Sn2 99.466(4) 46_766 1_554 ?
Sn2 Eu2 Sn2 124.073(2) 45_775 25_666 ?
Sn2 Eu2 Sn2 68.371(4) 2_664 25_666 ?
Sn2 Eu2 Sn2 162.948(5) 46_766 25_666 ?
Sn2 Eu2 Sn2 83.079(4) 1_554 25_666 ?
Sn2 Eu2 Sn2 68.371(4) 45_775 22_464 ?
Sn2 Eu2 Sn2 124.073(2) 2_664 22_464 ?
Sn2 Eu2 Sn2 83.079(4) 46_766 22_464 ?
Sn2 Eu2 Sn2 162.948(5) 1_554 22_464 ?
Sn2 Eu2 Sn2 99.466(4) 25_666 22_464 ?
Sn2 Eu2 Sn2 99.466(4) 45_775 26_556 ?
Sn2 Eu2 Sn2 83.079(4) 2_664 26_556 ?
Sn2 Eu2 Sn2 124.073(2) 46_766 26_556 ?
Sn2 Eu2 Sn2 68.371(4) 1_554 26_556 ?
Sn2 Eu2 Sn2 41.244(5) 25_666 26_556 ?
Sn2 Eu2 Sn2 124.073(2) 22_464 26_556 ?
Sn2 Eu2 Sn2 83.079(4) 45_775 21_455 ?
Sn2 Eu2 Sn2 99.466(4) 2_664 21_455 ?
Sn2 Eu2 Sn2 68.371(4) 46_766 21_455 ?
Sn2 Eu2 Sn2 124.073(2) 1_554 21_455 ?
Sn2 Eu2 Sn2 124.073(2) 25_666 21_455 ?
Sn2 Eu2 Sn2 41.244(5) 22_464 21_455 ?
Sn2 Eu2 Sn2 162.948(5) 26_556 21_455 ?
Sn2 Eu2 Sn3 38.894(2) 45_775 33_666 ?
Sn2 Eu2 Sn3 157.907(2) 2_664 33_666 ?
Sn2 Eu2 Sn3 73.727(2) 46_766 33_666 ?
Sn2 Eu2 Sn3 157.907(2) 1_554 33_666 ?
Sn2 Eu2 Sn3 97.583(2) 25_666 33_666 ?
Sn2 Eu2 Sn3 38.894(2) 22_464 33_666 ?
Sn2 Eu2 Sn3 97.583(2) 26_556 33_666 ?
Sn2 Eu2 Sn3 73.727(2) 21_455 33_666 ?
Sn2 Eu2 Sn3 157.907(2) 45_775 25_665 ?
Sn2 Eu2 Sn3 38.894(2) 2_664 25_665 ?
Sn2 Eu2 Sn3 157.907(2) 46_766 25_665 ?
Sn2 Eu2 Sn3 73.727(2) 1_554 25_665 ?
Sn2 Eu2 Sn3 38.894(2) 25_666 25_665 ?
Sn2 Eu2 Sn3 97.583(2) 22_464 25_665 ?
Sn2 Eu2 Sn3 73.727(2) 26_556 25_665 ?
Sn2 Eu2 Sn3 97.583(2) 21_455 25_665 ?
Sn3 Eu2 Sn3 120.0 33_666 25_665 ?
Sn2 Eu2 Sn3 97.583(2) 45_775 . ?
Sn2 Eu2 Sn3 73.727(2) 2_664 . ?
Sn2 Eu2 Sn3 97.583(2) 46_766 . ?
Sn2 Eu2 Sn3 38.894(2) 1_554 . ?
Sn2 Eu2 Sn3 73.727(2) 25_666 . ?
Sn2 Eu2 Sn3 157.907(2) 22_464 . ?
Sn2 Eu2 Sn3 38.894(2) 26_556 . ?
Sn2 Eu2 Sn3 157.907(2) 21_455 . ?
Sn3 Eu2 Sn3 120.0 33_666 . ?
Sn3 Eu2 Sn3 90.0 25_665 . ?
Sn2 Eu2 Sn3 73.727(2) 45_775 9_564 ?
Sn2 Eu2 Sn3 97.583(2) 2_664 9_564 ?
Sn2 Eu2 Sn3 38.894(2) 46_766 9_564 ?
Sn2 Eu2 Sn3 97.583(2) 1_554 9_564 ?
Sn2 Eu2 Sn3 157.907(2) 25_666 9_564 ?
Sn2 Eu2 Sn3 73.727(2) 22_464 9_564 ?
Sn2 Eu2 Sn3 157.907(2) 26_556 9_564 ?
Sn2 Eu2 Sn3 38.894(2) 21_455 9_564 ?
Sn3 Eu2 Sn3 90.0 33_666 9_564 ?
Sn3 Eu2 Sn3 120.0 25_665 9_564 ?
Sn3 Eu2 Sn3 120.0 . 9_564 ?
Sn1 Sn1 Sn2 107.194(5) 14_666 . ?
Sn1 Sn1 Sn2 107.193(5) 14_666 9 ?
Sn2 Sn1 Sn2 111.650(5) . 9 ?
Sn1 Sn1 Sn2 107.193(5) 14_666 5 ?
Sn2 Sn1 Sn2 111.649(5) . 5 ?
Sn2 Sn1 Sn2 111.650(5) 9 5 ?
Sn1 Sn1 Eu1 180.000(12) 14_666 . ?
Sn2 Sn1 Eu1 72.806(5) . . ?
Sn2 Sn1 Eu1 72.807(5) 9 . ?
Sn2 Sn1 Eu1 72.807(5) 5 . ?
Sn3 Sn2 Sn1 106.873(6) 1_556 27_565 ?
Sn3 Sn2 Sn1 106.872(6) 1_556 . ?
Sn1 Sn2 Sn1 103.335(7) 27_565 . ?
Sn3 Sn2 Sn2 125.194(4) 1_556 2_665 ?
Sn1 Sn2 Sn2 106.299(4) 27_565 2_665 ?
Sn1 Sn2 Sn2 106.299(4) . 2_665 ?
Sn3 Sn2 Eu1 165.444(6) 1_556 . ?
Sn1 Sn2 Eu1 65.248(5) 27_565 . ?
Sn1 Sn2 Eu1 65.250(5) . . ?
Sn2 Sn2 Eu1 69.362(2) 2_665 . ?
Sn3 Sn2 Eu2 75.157(3) 1_556 1_556 ?
Sn1 Sn2 Eu2 175.383(5) 27_565 1_556 ?
Sn1 Sn2 Eu2 79.775(2) . 1_556 ?
Sn2 Sn2 Eu2 69.377(2) 2_665 1_556 ?
Eu1 Sn2 Eu2 113.683(3) . 1_556 ?
Sn3 Sn2 Eu2 75.157(3) 1_556 25_666 ?
Sn1 Sn2 Eu2 79.775(2) 27_565 25_666 ?
Sn1 Sn2 Eu2 175.383(5) . 25_666 ?
Sn2 Sn2 Eu2 69.377(2) 2_665 25_666 ?
Eu1 Sn2 Eu2 113.683(3) . 25_666 ?
Eu2 Sn2 Eu2 96.920(4) 1_556 25_666 ?
Sn2 Sn3 Sn2 109.402(4) 41_775 1_554 ?
Sn2 Sn3 Sn2 109.402(4) 41_775 26_556 ?
Sn2 Sn3 Sn2 109.609(7) 1_554 26_556 ?
Sn2 Sn3 Sn2 109.609(7) 41_775 18_644 ?
Sn2 Sn3 Sn2 109.402(4) 1_554 18_644 ?
Sn2 Sn3 Sn2 109.402(4) 26_556 18_644 ?
Sn2 Sn3 Eu2 65.949(2) 41_775 29_666 ?
Sn2 Sn3 Eu2 170.195(4) 1_554 29_666 ?
Sn2 Sn3 Eu2 80.195(4) 26_556 29_666 ?
Sn2 Sn3 Eu2 65.949(2) 18_644 29_666 ?
Sn2 Sn3 Eu2 170.195(4) 41_775 25_665 ?
Sn2 Sn3 Eu2 65.949(2) 1_554 25_665 ?
Sn2 Sn3 Eu2 65.949(2) 26_556 25_665 ?
Sn2 Sn3 Eu2 80.195(4) 18_644 25_665 ?
Eu2 Sn3 Eu2 120.0 29_666 25_665 ?
Sn2 Sn3 Eu2 65.949(2) 41_775 5_654 ?
Sn2 Sn3 Eu2 80.195(4) 1_554 5_654 ?
Sn2 Sn3 Eu2 170.195(4) 26_556 5_654 ?
Sn2 Sn3 Eu2 65.949(2) 18_644 5_654 ?
Eu2 Sn3 Eu2 90.0 29_666 5_654 ?
Eu2 Sn3 Eu2 120.0 25_665 5_654 ?
Sn2 Sn3 Eu2 80.195(4) 41_775 . ?
Sn2 Sn3 Eu2 65.949(2) 1_554 . ?
Sn2 Sn3 Eu2 65.949(2) 26_556 . ?
Sn2 Sn3 Eu2 170.195(4) 18_644 . ?
Eu2 Sn3 Eu2 120.0 29_666 . ?
Eu2 Sn3 Eu2 90.0 25_665 . ?
Eu2 Sn3 Eu2 120.0 5_654 . ?


_refine_diff_density_max         0.549
_refine_diff_density_min         -0.365
_refine_diff_density_rms         0.116



