# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_I
_database_code_depnum_ccdc_archive 'CCDC 1937807'
loop_
_audit_author_name
_audit_author_address
'Igor Plokhikh'
;Uni Regensburg
Germany
;
_audit_update_record             
;
2020-02-12 deposited with the CCDC.	2020-05-12 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        EuAgSeF
_chemical_name_common            EuAgSeF
_chemical_formula_moiety         EuAgSeF
_chemical_formula_sum            'Eu F Ag Se'
_chemical_compound_source        'solid state reaction'
_chemical_properties_physical    'paramagnetic, photo-sensitive'
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_weight         357.791
_chemical_melting_point          580
_exptl_crystal_description       powder
_exptl_crystal_colour            yellow

_diffrn_ambient_temperature      293
_diffrn_ambient_pressure         100

#=======================================================================

# 6. POWDER SPECIMEN AND CRYSTAL DATA

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 4/n m m'
_symmetry_Int_Tables_number      129
_chemical_absolute_configuration .
_symmetry_space_group_name_Hall  '-P 4a;-2a'

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y+1/2,z
3 -y+1/2,x,z
4 y,-x+1/2,z
5 -x,y+1/2,-z
6 x+1/2,-y,-z
7 y+1/2,x+1/2,-z
8 -y,-x,-z
9 -x,-y,-z
10 x+1/2,y+1/2,-z
11 y+1/2,-x,-z
12 -y,x+1/2,-z
13 x,-y+1/2,z
14 -x+1/2,y,z
15 -y+1/2,-x+1/2,z
16 y,x,z

_cell_length_a                   4.15427(3)
_cell_length_b                   4.15427(3)
_cell_length_c                   9.21830(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     159.089(2)


_cell_formula_units_Z            2
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    7.4172
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             388

_pd_spec_size_axial              ?
_pd_spec_size_equat              ?
_pd_spec_size_thick              ?
_pd_spec_mounting                ?
_pd_spec_mount_mode              ?
_pd_spec_shape                   ?
_pd_char_particle_morphology     ?
_pd_char_colour                  ?
_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_exptl_absorpt_coefficient_mu    36.504
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?
_pd_instr_location               
; ?
;
_pd_calibration_special_details  
; ?
;

_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a~1~'
_diffrn_radiation_wavelength     0.7093
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'STOE STADI P'
_diffrn_source_target            ?
_diffrn_radiation_monochromator  ?
_diffrn_measurement_device       ?
_diffrn_measurement_device_type  'X-ray powder diffractometer'
_diffrn_detector                 ?
_diffrn_detector_type            ?

_pd_meas_scan_method             ?
_pd_meas_special_details         
; ?
;
_pd_meas_number_of_points        4710
_pd_meas_2theta_range_min        4.000
_pd_meas_2theta_range_max        74.635
_pd_meas_2theta_range_inc        0.015

#=======================================================================

# 8. REFINEMENT DATA

_pd_proc_ls_special_details      
; ?
;
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_background_function  
'Manual background combined with 5 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     'March & Dollase'
_pd_proc_ls_prof_R_factor        0.0217
_pd_proc_ls_prof_wR_factor       0.0304
_pd_proc_ls_prof_wR_expected     0.0149

_refine_special_details          
; ?
;

_refine_ls_R_factor_gt           0.0219
_refine_ls_wR_factor_gt          0.0241
_refine_ls_R_factor_all          0.0276
_refine_ls_wR_factor_all         0.0253
_refine_ls_goodness_of_fit_all   2.04
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_parameters     29
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0488
_refine_ls_shift/su_mean         0.0199
_refine_diff_density_max         2.37
_refine_diff_density_min         -2.82
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression ?

_pd_proc_2theta_range_min        4
_pd_proc_2theta_range_max        74.635
_pd_proc_2theta_range_inc        0.015
_pd_proc_wavelength              ?

_pd_block_diffractogram_id       ?

loop_
_pd_proc_info_excluded_regions
'from 60.027 to 74.560'
_pd_proc_info_data_reduction     ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag -0.8869 1.1160 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Eu -0.1003 3.6972 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
F 0.0179 0.0106 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Se -0.0749 2.2254 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.25 0.25 0.34758(8) Uiso 0.00894(19) 2 1 d . . .
Ag1 Ag 0.75 0.25 0 Uiso 0.0163(4) 2 1 d . . .
Se1 Se 0.75 0.75 0.19680(13) Uiso 0.0083(3) 2 1 d . . .
F1 F -0.25 0.25 0.5 Uiso 0.0063(16) 2 1 d . . .



loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Eu1 Eu1 . 1_455 4.15427(7) ?
Eu1 Eu1 . 1_545 4.15427(7) ?
Eu1 Eu1 . 1_565 4.15427(7) ?
Eu1 Eu1 . 1_655 4.15427(7) ?
Eu1 Eu1 . 5_546 4.0651(7) ?
Eu1 Eu1 . 5_556 4.0651(7) ?
Eu1 Eu1 . 5_646 4.0651(7) ?
Eu1 Eu1 . 5_656 4.0651(7) ?
Eu1 Ag1 . 1_455 3.8185(6) ?
Eu1 Ag1 . . 3.8185(6) ?
Eu1 Ag1 . 3_545 3.8185(6) ?
Eu1 Ag1 . 3_555 3.8185(6) ?
Eu1 Se1 . 1_445 3.2498(6) ?
Eu1 Se1 . 1_455 3.2498(6) ?
Eu1 Se1 . 1_545 3.2498(6) ?
Eu1 Se1 . . 3.2498(6) ?
Eu1 F1 . . 2.5077(4) ?
Eu1 F1 . 1_655 2.5077(4) ?
Eu1 F1 . 3_555 2.5077(4) ?
Eu1 F1 . 3_565 2.5077(4) ?
Ag1 Ag1 . 3_545 2.93751(3) ?
Ag1 Ag1 . 3_555 2.93751(3) ?
Ag1 Ag1 . 3_645 2.93751(3) ?
Ag1 Ag1 . 3_655 2.93751(3) ?
Ag1 Se1 . 1_545 2.7578(8) ?
Ag1 Se1 . . 2.7578(8) ?
Ag1 Se1 . 5_645 2.7578(8) ?
Ag1 Se1 . 5_745 2.7578(8) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Eu1 Eu1 Eu1 1_455 . 1_545 90 ?
Eu1 Eu1 Eu1 1_455 . 1_565 90 ?
Eu1 Eu1 Eu1 1_455 . 1_655 180 ?
Eu1 Eu1 Eu1 1_455 . 5_546 59.272(10) ?
Eu1 Eu1 Eu1 1_455 . 5_556 59.272(10) ?
Eu1 Eu1 Eu1 1_455 . 5_646 120.728(15) ?
Eu1 Eu1 Eu1 1_455 . 5_656 120.728(15) ?
Eu1 Eu1 Ag1 1_455 . 1_455 57.046(11) ?
Eu1 Eu1 Ag1 1_455 . . 122.954(19) ?
Eu1 Eu1 Ag1 1_455 . 3_545 90.000(12) ?
Eu1 Eu1 Ag1 1_455 . 3_555 90.000(12) ?
Eu1 Eu1 Se1 1_455 . 1_445 50.271(10) ?
Eu1 Eu1 Se1 1_455 . 1_455 50.271(10) ?
Eu1 Eu1 Se1 1_455 . 1_545 129.729(14) ?
Eu1 Eu1 Se1 1_455 . . 129.729(14) ?
Eu1 Eu1 F1 1_455 . . 34.075(11) ?
Eu1 Eu1 F1 1_455 . 1_655 145.92(3) ?
Eu1 Eu1 F1 1_455 . 3_555 90.000(8) ?
Eu1 Eu1 F1 1_455 . 3_565 90.000(8) ?
Eu1 Eu1 Eu1 1_545 . 1_565 180 ?
Eu1 Eu1 Eu1 1_545 . 1_655 90 ?
Eu1 Eu1 Eu1 1_545 . 5_546 59.272(10) ?
Eu1 Eu1 Eu1 1_545 . 5_556 120.728(15) ?
Eu1 Eu1 Eu1 1_545 . 5_646 59.272(10) ?
Eu1 Eu1 Eu1 1_545 . 5_656 120.728(15) ?
Eu1 Eu1 Ag1 1_545 . 1_455 90.000(12) ?
Eu1 Eu1 Ag1 1_545 . . 90.000(12) ?
Eu1 Eu1 Ag1 1_545 . 3_545 57.046(11) ?
Eu1 Eu1 Ag1 1_545 . 3_555 122.954(19) ?
Eu1 Eu1 Se1 1_545 . 1_445 50.271(10) ?
Eu1 Eu1 Se1 1_545 . 1_455 129.729(14) ?
Eu1 Eu1 Se1 1_545 . 1_545 50.271(10) ?
Eu1 Eu1 Se1 1_545 . . 129.729(14) ?
Eu1 Eu1 F1 1_545 . . 90.000(8) ?
Eu1 Eu1 F1 1_545 . 1_655 90.000(8) ?
Eu1 Eu1 F1 1_545 . 3_555 34.075(11) ?
Eu1 Eu1 F1 1_545 . 3_565 145.92(3) ?
Eu1 Eu1 Eu1 1_565 . 1_655 90 ?
Eu1 Eu1 Eu1 1_565 . 5_546 120.728(15) ?
Eu1 Eu1 Eu1 1_565 . 5_556 59.272(10) ?
Eu1 Eu1 Eu1 1_565 . 5_646 120.728(15) ?
Eu1 Eu1 Eu1 1_565 . 5_656 59.272(10) ?
Eu1 Eu1 Ag1 1_565 . 1_455 90.000(12) ?
Eu1 Eu1 Ag1 1_565 . . 90.000(12) ?
Eu1 Eu1 Ag1 1_565 . 3_545 122.954(19) ?
Eu1 Eu1 Ag1 1_565 . 3_555 57.046(11) ?
Eu1 Eu1 Se1 1_565 . 1_445 129.729(14) ?
Eu1 Eu1 Se1 1_565 . 1_455 50.271(10) ?
Eu1 Eu1 Se1 1_565 . 1_545 129.729(14) ?
Eu1 Eu1 Se1 1_565 . . 50.271(10) ?
Eu1 Eu1 F1 1_565 . . 90.000(8) ?
Eu1 Eu1 F1 1_565 . 1_655 90.000(8) ?
Eu1 Eu1 F1 1_565 . 3_555 145.92(3) ?
Eu1 Eu1 F1 1_565 . 3_565 34.075(11) ?
Eu1 Eu1 Eu1 1_655 . 5_546 120.728(15) ?
Eu1 Eu1 Eu1 1_655 . 5_556 120.728(15) ?
Eu1 Eu1 Eu1 1_655 . 5_646 59.272(10) ?
Eu1 Eu1 Eu1 1_655 . 5_656 59.272(10) ?
Eu1 Eu1 Ag1 1_655 . 1_455 122.954(19) ?
Eu1 Eu1 Ag1 1_655 . . 57.046(11) ?
Eu1 Eu1 Ag1 1_655 . 3_545 90.000(12) ?
Eu1 Eu1 Ag1 1_655 . 3_555 90.000(12) ?
Eu1 Eu1 Se1 1_655 . 1_445 129.729(14) ?
Eu1 Eu1 Se1 1_655 . 1_455 129.729(14) ?
Eu1 Eu1 Se1 1_655 . 1_545 50.271(10) ?
Eu1 Eu1 Se1 1_655 . . 50.271(10) ?
Eu1 Eu1 F1 1_655 . . 145.92(3) ?
Eu1 Eu1 F1 1_655 . 1_655 34.075(11) ?
Eu1 Eu1 F1 1_655 . 3_555 90.000(8) ?
Eu1 Eu1 F1 1_655 . 3_565 90.000(8) ?
Eu1 Eu1 Eu1 5_546 . 5_556 61.456(10) ?
Eu1 Eu1 Eu1 5_546 . 5_646 61.456(10) ?
Eu1 Eu1 Eu1 5_546 . 5_656 92.541(18) ?
Eu1 Eu1 Ag1 5_546 . 1_455 107.583(7) ?
Eu1 Eu1 Ag1 5_546 . . 149.091(7) ?
Eu1 Eu1 Ag1 5_546 . 3_545 107.583(7) ?
Eu1 Eu1 Ag1 5_546 . 3_555 149.091(7) ?
Eu1 Eu1 Se1 5_546 . 1_445 69.05(2) ?
Eu1 Eu1 Se1 5_546 . 1_455 107.197(14) ?
Eu1 Eu1 Se1 5_546 . 1_545 107.197(14) ?
Eu1 Eu1 Se1 5_546 . . 161.59(3) ?
Eu1 Eu1 F1 5_546 . . 35.852(7) ?
Eu1 Eu1 F1 5_546 . 1_655 92.060(19) ?
Eu1 Eu1 F1 5_546 . 3_555 35.852(7) ?
Eu1 Eu1 F1 5_546 . 3_565 92.060(19) ?
Eu1 Eu1 Eu1 5_556 . 5_646 92.541(18) ?
Eu1 Eu1 Eu1 5_556 . 5_656 61.456(10) ?
Eu1 Eu1 Ag1 5_556 . 1_455 107.583(7) ?
Eu1 Eu1 Ag1 5_556 . . 149.091(7) ?
Eu1 Eu1 Ag1 5_556 . 3_545 149.091(7) ?
Eu1 Eu1 Ag1 5_556 . 3_555 107.583(7) ?
Eu1 Eu1 Se1 5_556 . 1_445 107.197(14) ?
Eu1 Eu1 Se1 5_556 . 1_455 69.05(2) ?
Eu1 Eu1 Se1 5_556 . 1_545 161.59(3) ?
Eu1 Eu1 Se1 5_556 . . 107.197(14) ?
Eu1 Eu1 F1 5_556 . . 35.852(7) ?
Eu1 Eu1 F1 5_556 . 1_655 92.060(19) ?
Eu1 Eu1 F1 5_556 . 3_555 92.060(19) ?
Eu1 Eu1 F1 5_556 . 3_565 35.852(7) ?
Eu1 Eu1 Eu1 5_646 . 5_656 61.456(10) ?
Eu1 Eu1 Ag1 5_646 . 1_455 149.091(7) ?
Eu1 Eu1 Ag1 5_646 . . 107.583(7) ?
Eu1 Eu1 Ag1 5_646 . 3_545 107.583(7) ?
Eu1 Eu1 Ag1 5_646 . 3_555 149.091(7) ?
Eu1 Eu1 Se1 5_646 . 1_445 107.197(14) ?
Eu1 Eu1 Se1 5_646 . 1_455 161.59(3) ?
Eu1 Eu1 Se1 5_646 . 1_545 69.05(2) ?
Eu1 Eu1 Se1 5_646 . . 107.197(14) ?
Eu1 Eu1 F1 5_646 . . 92.060(19) ?
Eu1 Eu1 F1 5_646 . 1_655 35.852(7) ?
Eu1 Eu1 F1 5_646 . 3_555 35.852(7) ?
Eu1 Eu1 F1 5_646 . 3_565 92.060(19) ?
Eu1 Eu1 Ag1 5_656 . 1_455 149.091(7) ?
Eu1 Eu1 Ag1 5_656 . . 107.583(7) ?
Eu1 Eu1 Ag1 5_656 . 3_545 149.091(7) ?
Eu1 Eu1 Ag1 5_656 . 3_555 107.583(7) ?
Eu1 Eu1 Se1 5_656 . 1_445 161.59(3) ?
Eu1 Eu1 Se1 5_656 . 1_455 107.197(14) ?
Eu1 Eu1 Se1 5_656 . 1_545 107.197(14) ?
Eu1 Eu1 Se1 5_656 . . 69.05(2) ?
Eu1 Eu1 F1 5_656 . . 92.060(19) ?
Eu1 Eu1 F1 5_656 . 1_655 35.852(7) ?
Eu1 Eu1 F1 5_656 . 3_555 92.060(19) ?
Eu1 Eu1 F1 5_656 . 3_565 35.852(7) ?
Ag1 Eu1 Ag1 1_455 . . 65.908(12) ?
Ag1 Eu1 Ag1 1_455 . 3_545 45.243(8) ?
Ag1 Eu1 Ag1 1_455 . 3_555 45.243(8) ?
Ag1 Eu1 Se1 1_455 . 1_445 45.042(18) ?
Ag1 Eu1 Se1 1_455 . 1_455 45.042(18) ?
Ag1 Eu1 Se1 1_455 . 1_545 89.36(2) ?
Ag1 Eu1 Se1 1_455 . . 89.36(2) ?
Ag1 Eu1 F1 1_455 . . 91.121(8) ?
Ag1 Eu1 F1 1_455 . 1_655 157.03(2) ?
Ag1 Eu1 F1 1_455 . 3_555 118.043(9) ?
Ag1 Eu1 F1 1_455 . 3_565 118.043(9) ?
Ag1 Eu1 Ag1 . . 3_545 45.243(8) ?
Ag1 Eu1 Ag1 . . 3_555 45.243(8) ?
Ag1 Eu1 Se1 . . 1_445 89.36(2) ?
Ag1 Eu1 Se1 . . 1_455 89.36(2) ?
Ag1 Eu1 Se1 . . 1_545 45.042(18) ?
Ag1 Eu1 Se1 . . . 45.042(18) ?
Ag1 Eu1 F1 . . . 157.03(2) ?
Ag1 Eu1 F1 . . 1_655 91.121(8) ?
Ag1 Eu1 F1 . . 3_555 118.043(9) ?
Ag1 Eu1 F1 . . 3_565 118.043(9) ?
Ag1 Eu1 Ag1 3_545 . 3_555 65.908(12) ?
Ag1 Eu1 Se1 3_545 . 1_445 45.042(18) ?
Ag1 Eu1 Se1 3_545 . 1_455 89.36(2) ?
Ag1 Eu1 Se1 3_545 . 1_545 45.042(18) ?
Ag1 Eu1 Se1 3_545 . . 89.36(2) ?
Ag1 Eu1 F1 3_545 . . 118.043(9) ?
Ag1 Eu1 F1 3_545 . 1_655 118.043(9) ?
Ag1 Eu1 F1 3_545 . 3_555 91.121(8) ?
Ag1 Eu1 F1 3_545 . 3_565 157.03(2) ?
Ag1 Eu1 Se1 3_555 . 1_445 89.36(2) ?
Ag1 Eu1 Se1 3_555 . 1_455 45.042(18) ?
Ag1 Eu1 Se1 3_555 . 1_545 89.36(2) ?
Ag1 Eu1 Se1 3_555 . . 45.042(18) ?
Ag1 Eu1 F1 3_555 . . 118.043(9) ?
Ag1 Eu1 F1 3_555 . 1_655 118.043(9) ?
Ag1 Eu1 F1 3_555 . 3_555 157.03(2) ?
Ag1 Eu1 F1 3_555 . 3_565 91.121(8) ?
Se1 Eu1 Se1 1_445 . 1_455 79.459(14) ?
Se1 Eu1 Se1 1_445 . 1_545 79.459(14) ?
Se1 Eu1 Se1 1_445 . . 129.35(4) ?
Se1 Eu1 F1 1_445 . . 73.155(15) ?
Se1 Eu1 F1 1_445 . 1_655 140.270(9) ?
Se1 Eu1 F1 1_445 . 3_555 73.155(15) ?
Se1 Eu1 F1 1_445 . 3_565 140.270(9) ?
Se1 Eu1 Se1 1_455 . 1_545 129.35(4) ?
Se1 Eu1 Se1 1_455 . . 79.459(14) ?
Se1 Eu1 F1 1_455 . . 73.155(15) ?
Se1 Eu1 F1 1_455 . 1_655 140.270(9) ?
Se1 Eu1 F1 1_455 . 3_555 140.270(9) ?
Se1 Eu1 F1 1_455 . 3_565 73.155(15) ?
Se1 Eu1 Se1 1_545 . . 79.459(14) ?
Se1 Eu1 F1 1_545 . . 140.270(9) ?
Se1 Eu1 F1 1_545 . 1_655 73.155(15) ?
Se1 Eu1 F1 1_545 . 3_555 73.155(15) ?
Se1 Eu1 F1 1_545 . 3_565 140.270(9) ?
Se1 Eu1 F1 . . . 140.270(9) ?
Se1 Eu1 F1 . . 1_655 73.155(15) ?
Se1 Eu1 F1 . . 3_555 140.270(9) ?
Se1 Eu1 F1 . . 3_565 73.155(15) ?
F1 Eu1 F1 . . 1_655 111.85(3) ?
F1 Eu1 F1 . . 3_555 71.705(13) ?
F1 Eu1 F1 . . 3_565 71.705(13) ?
F1 Eu1 F1 1_655 . 3_555 71.705(13) ?
F1 Eu1 F1 1_655 . 3_565 71.705(13) ?
F1 Eu1 F1 3_555 . 3_565 111.85(3) ?
Eu1 Ag1 Eu1 . . 1_655 65.908(8) ?
Eu1 Ag1 Eu1 . . 5_645 134.757(5) ?
Eu1 Ag1 Eu1 . . 5_655 134.757(5) ?
Eu1 Ag1 Ag1 . . 3_545 67.378(4) ?
Eu1 Ag1 Ag1 . . 3_555 67.378(4) ?
Eu1 Ag1 Ag1 . . 3_645 112.622(4) ?
Eu1 Ag1 Ag1 . . 3_655 112.622(4) ?
Eu1 Ag1 Se1 . . 1_545 56.497(15) ?
Eu1 Ag1 Se1 . . . 56.497(15) ?
Eu1 Ag1 Se1 . . 5_645 98.18(2) ?
Eu1 Ag1 Se1 . . 5_745 164.09(2) ?
Eu1 Ag1 Eu1 1_655 . 5_645 134.757(5) ?
Eu1 Ag1 Eu1 1_655 . 5_655 134.757(5) ?
Eu1 Ag1 Ag1 1_655 . 3_545 112.622(4) ?
Eu1 Ag1 Ag1 1_655 . 3_555 112.622(4) ?
Eu1 Ag1 Ag1 1_655 . 3_645 67.378(4) ?
Eu1 Ag1 Ag1 1_655 . 3_655 67.378(4) ?
Eu1 Ag1 Se1 1_655 . 1_545 56.497(15) ?
Eu1 Ag1 Se1 1_655 . . 56.497(15) ?
Eu1 Ag1 Se1 1_655 . 5_645 164.09(2) ?
Eu1 Ag1 Se1 1_655 . 5_745 98.18(2) ?
Eu1 Ag1 Eu1 5_645 . 5_655 65.908(8) ?
Eu1 Ag1 Ag1 5_645 . 3_545 67.378(4) ?
Eu1 Ag1 Ag1 5_645 . 3_555 112.622(4) ?
Eu1 Ag1 Ag1 5_645 . 3_645 67.378(4) ?
Eu1 Ag1 Ag1 5_645 . 3_655 112.622(4) ?
Eu1 Ag1 Se1 5_645 . 1_545 98.18(2) ?
Eu1 Ag1 Se1 5_645 . . 164.09(2) ?
Eu1 Ag1 Se1 5_645 . 5_645 56.497(15) ?
Eu1 Ag1 Se1 5_645 . 5_745 56.497(15) ?
Eu1 Ag1 Ag1 5_655 . 3_545 112.622(4) ?
Eu1 Ag1 Ag1 5_655 . 3_555 67.378(4) ?
Eu1 Ag1 Ag1 5_655 . 3_645 112.622(4) ?
Eu1 Ag1 Ag1 5_655 . 3_655 67.378(4) ?
Eu1 Ag1 Se1 5_655 . 1_545 164.09(2) ?
Eu1 Ag1 Se1 5_655 . . 98.18(2) ?
Eu1 Ag1 Se1 5_655 . 5_645 56.497(15) ?
Eu1 Ag1 Se1 5_655 . 5_745 56.497(15) ?
Ag1 Ag1 Ag1 3_545 . 3_555 90.0000(6) ?
Ag1 Ag1 Ag1 3_545 . 3_645 90.0000(6) ?
Ag1 Ag1 Ag1 3_545 . 3_655 180 ?
Ag1 Ag1 Se1 3_545 . 1_545 57.820(11) ?
Ag1 Ag1 Se1 3_545 . . 122.180(11) ?
Ag1 Ag1 Se1 3_545 . 5_645 57.820(11) ?
Ag1 Ag1 Se1 3_545 . 5_745 122.180(11) ?
Ag1 Ag1 Ag1 3_555 . 3_645 180 ?
Ag1 Ag1 Ag1 3_555 . 3_655 90.0000(6) ?
Ag1 Ag1 Se1 3_555 . 1_545 122.180(11) ?
Ag1 Ag1 Se1 3_555 . . 57.820(11) ?
Ag1 Ag1 Se1 3_555 . 5_645 57.820(11) ?
Ag1 Ag1 Se1 3_555 . 5_745 122.180(11) ?
Ag1 Ag1 Ag1 3_645 . 3_655 90.0000(6) ?
Ag1 Ag1 Se1 3_645 . 1_545 57.820(11) ?
Ag1 Ag1 Se1 3_645 . . 122.180(11) ?
Ag1 Ag1 Se1 3_645 . 5_645 122.180(11) ?
Ag1 Ag1 Se1 3_645 . 5_745 57.820(11) ?
Ag1 Ag1 Se1 3_655 . 1_545 122.180(11) ?
Ag1 Ag1 Se1 3_655 . . 57.820(11) ?
Ag1 Ag1 Se1 3_655 . 5_645 122.180(11) ?
Ag1 Ag1 Se1 3_655 . 5_745 57.820(11) ?
Se1 Ag1 Se1 1_545 . . 97.73(3) ?
Se1 Ag1 Se1 1_545 . 5_645 115.640(15) ?
Se1 Ag1 Se1 1_545 . 5_745 115.640(15) ?
Se1 Ag1 Se1 . . 5_645 115.640(15) ?
Se1 Ag1 Se1 . . 5_745 115.640(15) ?
Se1 Ag1 Se1 5_645 . 5_745 97.73(3) ?
Eu1 Se1 Eu1 . . 1_565 79.459(17) ?
Eu1 Se1 Eu1 . . 1_655 79.459(17) ?
Eu1 Se1 Eu1 . . 1_665 129.35(4) ?
Eu1 Se1 Ag1 . . . 78.461(10) ?
Eu1 Se1 Ag1 . . 1_565 139.708(15) ?
Eu1 Se1 Ag1 . . 3_555 78.461(10) ?
Eu1 Se1 Ag1 . . 3_655 139.708(15) ?
Eu1 Se1 Eu1 1_565 . 1_655 129.35(4) ?
Eu1 Se1 Eu1 1_565 . 1_665 79.459(17) ?
Eu1 Se1 Ag1 1_565 . . 139.708(15) ?
Eu1 Se1 Ag1 1_565 . 1_565 78.461(10) ?
Eu1 Se1 Ag1 1_565 . 3_555 78.461(10) ?
Eu1 Se1 Ag1 1_565 . 3_655 139.708(15) ?
Eu1 Se1 Eu1 1_655 . 1_665 79.459(17) ?
Eu1 Se1 Ag1 1_655 . . 78.461(10) ?
Eu1 Se1 Ag1 1_655 . 1_565 139.708(15) ?
Eu1 Se1 Ag1 1_655 . 3_555 139.708(15) ?
Eu1 Se1 Ag1 1_655 . 3_655 78.461(10) ?
Eu1 Se1 Ag1 1_665 . . 139.708(15) ?
Eu1 Se1 Ag1 1_665 . 1_565 78.461(10) ?
Eu1 Se1 Ag1 1_665 . 3_555 139.708(15) ?
Eu1 Se1 Ag1 1_665 . 3_655 78.461(10) ?
Ag1 Se1 Ag1 . . 1_565 97.73(4) ?
Ag1 Se1 Ag1 . . 3_555 64.36(2) ?
Ag1 Se1 Ag1 . . 3_655 64.36(2) ?
Ag1 Se1 Ag1 1_565 . 3_555 64.36(2) ?
Ag1 Se1 Ag1 1_565 . 3_655 64.36(2) ?
Ag1 Se1 Ag1 3_555 . 3_655 97.73(4) ?
Eu1 F1 Eu1 1_455 . . 111.85(2) ?
Eu1 F1 Eu1 1_455 . 5_546 108.295(10) ?
Eu1 F1 Eu1 1_455 . 5_556 108.295(10) ?
Eu1 F1 Eu1 . . 5_546 108.295(10) ?
Eu1 F1 Eu1 . . 5_556 108.295(10) ?
Eu1 F1 Eu1 5_546 . 5_556 111.85(2) ?
####################################################################### 
# 
# 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_I_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1937849'
loop_
_audit_author_name
_audit_author_address
'Igor Plokhikh'
;Uni Regensburg
Germany
;
_audit_update_record             
;
2019-07-02 deposited with the CCDC.	2020-05-12 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        EuAgTeF
_chemical_name_common            EuAgTeF
_chemical_formula_moiety         EuAgTeF
_chemical_formula_sum            'Eu F Ag0.948 Te'
_chemical_compound_source        'solid state reaction'
_chemical_properties_physical    'paramagnetic, photo-sensitive'
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_weight         400.8
_chemical_melting_point          993
_exptl_crystal_colour            red

_diffrn_ambient_temperature      293
_diffrn_ambient_pressure         100

#=======================================================================

# 6. POWDER SPECIMEN AND CRYSTAL DATA

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 4/n m m'
_symmetry_Int_Tables_number      129
_chemical_absolute_configuration .
_symmetry_space_group_name_Hall  '-P 4a;-2a'

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y+1/2,x+1/2,z
4 y+1/2,-x+1/2,z
5 -x+1/2,y+1/2,-z
6 x+1/2,-y+1/2,-z
7 y,x,-z
8 -y,-x,-z
9 -x+1/2,-y+1/2,-z
10 x+1/2,y+1/2,-z
11 y,-x,-z
12 -y,x,-z
13 x,-y,z
14 -x,y,z
15 -y+1/2,-x+1/2,z
16 y+1/2,x+1/2,z

_cell_length_a                   4.32552(4)
_cell_length_b                   4.32552(4)
_cell_length_c                   9.54858(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     178.655(3)


_cell_formula_units_Z            2
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    7.451
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             480

_pd_spec_size_axial              ?
_pd_spec_size_equat              ?
_pd_spec_size_thick              ?
_pd_spec_mounting                ?
_pd_spec_mount_mode              ?
_pd_spec_shape                   ?
_pd_char_particle_morphology     ?
_pd_char_colour                  ?
_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_exptl_absorpt_coefficient_mu    30.251
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?
_pd_instr_location               
; ?
;
_pd_calibration_special_details  
; ?
;

_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a~1~'
_diffrn_radiation_wavelength     0.7093
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'STOE STADI P'
_diffrn_source_target            ?
_diffrn_radiation_monochromator  ?
_diffrn_measurement_device       ?
_diffrn_measurement_device_type  'X-ray powder diffractometer'
_diffrn_detector                 ?
_diffrn_detector_type            ?

_pd_meas_scan_method             ?
_pd_meas_special_details         
; ?
;
_pd_meas_number_of_points        5280
_pd_meas_2theta_range_min        3.000
_pd_meas_2theta_range_max        82.185
_pd_meas_2theta_range_inc        0.015

#=======================================================================

# 8. REFINEMENT DATA

_pd_proc_ls_special_details      
; ?
;
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_background_function  '15 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     'March & Dollase'
_pd_proc_ls_prof_R_factor        0.0539
_pd_proc_ls_prof_wR_factor       0.0721
_pd_proc_ls_prof_wR_expected     0.0451

_refine_special_details          
; ?
;

_refine_ls_R_factor_gt           0.0195
_refine_ls_wR_factor_gt          0.0219
_refine_ls_R_factor_all          0.0226
_refine_ls_wR_factor_all         0.0227
_refine_ls_goodness_of_fit_all   1.60
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_parameters     36
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0385
_refine_ls_shift/su_mean         0.0118
_refine_diff_density_max         1.75
_refine_diff_density_min         -1.11
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression ?

_pd_proc_2theta_range_min        3
_pd_proc_2theta_range_max        60.27
_pd_proc_2theta_range_inc        0.015
_pd_proc_wavelength              ?

_pd_block_diffractogram_id       ?

loop_
_pd_proc_info_excluded_regions
'from 60.284 to 82.185'
_pd_proc_info_data_reduction     ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag -0.8869 1.1160 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Eu -0.1003 3.6972 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
F 0.0179 0.0106 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Te -0.5012 1.6961 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0 0.5 0.36051(10) Uiso 0.0097(3) 2 1 d . . .
Te1 Te 0.5 0 0.19931(12) Uiso 0.0099(3) 2 1 d . . .
Ag1 Ag 1 0 0 Uiso 0.0168(5) 2 0.948(4) d . . .
F1 F -0.5 0.5 0.5 Uiso 0.026(3) 2 1 d . . .



loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Eu1 Eu1 . 1_455 4.32552(8) ?
Eu1 Eu1 . 1_545 4.32552(8) ?
Eu1 Eu1 . 1_565 4.32552(8) ?
Eu1 Eu1 . 1_655 4.32552(8) ?
Eu1 Eu1 . 5_446 4.0560(8) ?
Eu1 Eu1 . 5_456 4.0560(8) ?
Eu1 Eu1 . 5_546 4.0560(8) ?
Eu1 Eu1 . 5_556 4.0560(8) ?
Eu1 Te1 . 1_455 3.4241(7) ?
Eu1 Te1 . 1_465 3.4241(7) ?
Eu1 Te1 . . 3.4241(7) ?
Eu1 Te1 . 1_565 3.4241(7) ?
Eu1 Te1 . 5_556 4.2031(15) ?
Eu1 Ag1 . 1_455 4.0654(8) ?
Eu1 Ag1 . 1_465 4.0654(8) ?
Eu1 Ag1 . 3_445 4.0654(8) ?
Eu1 Ag1 . 3_545 4.0654(8) ?
Eu1 F1 . . 2.5400(5) ?
Eu1 F1 . 1_655 2.5400(5) ?
Eu1 F1 . 3_555 2.5400(5) ?
Eu1 F1 . 3_565 2.5400(5) ?
Te1 Ag1 . 1_455 2.8808(8) ?
Te1 Ag1 . . 2.8808(8) ?
Te1 Ag1 . 3_535 2.8808(8) ?
Te1 Ag1 . 3_545 2.8808(8) ?
Ag1 Ag1 . 3_535 3.05860(4) ?
Ag1 Ag1 . 3_545 3.05860(4) ?
Ag1 Ag1 . 3_635 3.05860(4) ?
Ag1 Ag1 . 3_645 3.05860(4) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Eu1 Eu1 Eu1 1_455 . 1_545 90 ?
Eu1 Eu1 Eu1 1_455 . 1_565 90 ?
Eu1 Eu1 Eu1 1_455 . 1_655 180 ?
Eu1 Eu1 Eu1 1_455 . 5_446 57.776(11) ?
Eu1 Eu1 Eu1 1_455 . 5_456 57.776(11) ?
Eu1 Eu1 Eu1 1_455 . 5_546 122.224(18) ?
Eu1 Eu1 Eu1 1_455 . 5_556 122.224(18) ?
Eu1 Eu1 Te1 1_455 . 1_455 50.830(10) ?
Eu1 Eu1 Te1 1_455 . 1_465 50.830(10) ?
Eu1 Eu1 Te1 1_455 . . 129.170(16) ?
Eu1 Eu1 Te1 1_455 . 1_565 129.170(16) ?
Eu1 Eu1 Te1 1_455 . 5_556 90.000(17) ?
Eu1 Eu1 Ag1 1_455 . 1_455 90.000(14) ?
Eu1 Eu1 Ag1 1_455 . 1_465 90.000(14) ?
Eu1 Eu1 Ag1 1_455 . 3_445 57.860(13) ?
Eu1 Eu1 Ag1 1_455 . 3_545 122.14(2) ?
Eu1 Eu1 F1 1_455 . . 31.627(13) ?
Eu1 Eu1 F1 1_455 . 1_655 148.37(3) ?
Eu1 Eu1 F1 1_455 . 3_555 90.000(9) ?
Eu1 Eu1 F1 1_455 . 3_565 90.000(9) ?
Eu1 Eu1 Eu1 1_545 . 1_565 180 ?
Eu1 Eu1 Eu1 1_545 . 1_655 90 ?
Eu1 Eu1 Eu1 1_545 . 5_446 57.776(11) ?
Eu1 Eu1 Eu1 1_545 . 5_456 122.224(18) ?
Eu1 Eu1 Eu1 1_545 . 5_546 57.776(11) ?
Eu1 Eu1 Eu1 1_545 . 5_556 122.224(18) ?
Eu1 Eu1 Te1 1_545 . 1_455 50.830(10) ?
Eu1 Eu1 Te1 1_545 . 1_465 129.170(16) ?
Eu1 Eu1 Te1 1_545 . . 50.830(10) ?
Eu1 Eu1 Te1 1_545 . 1_565 129.170(16) ?
Eu1 Eu1 Te1 1_545 . 5_556 90.000(17) ?
Eu1 Eu1 Ag1 1_545 . 1_455 57.860(13) ?
Eu1 Eu1 Ag1 1_545 . 1_465 122.14(2) ?
Eu1 Eu1 Ag1 1_545 . 3_445 90.000(14) ?
Eu1 Eu1 Ag1 1_545 . 3_545 90.000(14) ?
Eu1 Eu1 F1 1_545 . . 90.000(9) ?
Eu1 Eu1 F1 1_545 . 1_655 90.000(9) ?
Eu1 Eu1 F1 1_545 . 3_555 31.627(13) ?
Eu1 Eu1 F1 1_545 . 3_565 148.37(3) ?
Eu1 Eu1 Eu1 1_565 . 1_655 90 ?
Eu1 Eu1 Eu1 1_565 . 5_446 122.224(18) ?
Eu1 Eu1 Eu1 1_565 . 5_456 57.776(11) ?
Eu1 Eu1 Eu1 1_565 . 5_546 122.224(18) ?
Eu1 Eu1 Eu1 1_565 . 5_556 57.776(11) ?
Eu1 Eu1 Te1 1_565 . 1_455 129.170(16) ?
Eu1 Eu1 Te1 1_565 . 1_465 50.830(10) ?
Eu1 Eu1 Te1 1_565 . . 129.170(16) ?
Eu1 Eu1 Te1 1_565 . 1_565 50.830(10) ?
Eu1 Eu1 Te1 1_565 . 5_556 90.000(17) ?
Eu1 Eu1 Ag1 1_565 . 1_455 122.14(2) ?
Eu1 Eu1 Ag1 1_565 . 1_465 57.860(13) ?
Eu1 Eu1 Ag1 1_565 . 3_445 90.000(14) ?
Eu1 Eu1 Ag1 1_565 . 3_545 90.000(14) ?
Eu1 Eu1 F1 1_565 . . 90.000(9) ?
Eu1 Eu1 F1 1_565 . 1_655 90.000(9) ?
Eu1 Eu1 F1 1_565 . 3_555 148.37(3) ?
Eu1 Eu1 F1 1_565 . 3_565 31.627(13) ?
Eu1 Eu1 Eu1 1_655 . 5_446 122.224(18) ?
Eu1 Eu1 Eu1 1_655 . 5_456 122.224(18) ?
Eu1 Eu1 Eu1 1_655 . 5_546 57.776(11) ?
Eu1 Eu1 Eu1 1_655 . 5_556 57.776(11) ?
Eu1 Eu1 Te1 1_655 . 1_455 129.170(16) ?
Eu1 Eu1 Te1 1_655 . 1_465 129.170(16) ?
Eu1 Eu1 Te1 1_655 . . 50.830(10) ?
Eu1 Eu1 Te1 1_655 . 1_565 50.830(10) ?
Eu1 Eu1 Te1 1_655 . 5_556 90.000(17) ?
Eu1 Eu1 Ag1 1_655 . 1_455 90.000(14) ?
Eu1 Eu1 Ag1 1_655 . 1_465 90.000(14) ?
Eu1 Eu1 Ag1 1_655 . 3_445 122.14(2) ?
Eu1 Eu1 Ag1 1_655 . 3_545 57.860(13) ?
Eu1 Eu1 F1 1_655 . . 148.37(3) ?
Eu1 Eu1 F1 1_655 . 1_655 31.627(13) ?
Eu1 Eu1 F1 1_655 . 3_555 90.000(9) ?
Eu1 Eu1 F1 1_655 . 3_565 90.000(9) ?
Eu1 Eu1 Eu1 5_446 . 5_456 64.447(13) ?
Eu1 Eu1 Eu1 5_446 . 5_546 64.447(13) ?
Eu1 Eu1 Eu1 5_446 . 5_556 97.89(2) ?
Eu1 Eu1 Te1 5_446 . 1_455 67.77(2) ?
Eu1 Eu1 Te1 5_446 . 1_465 107.172(12) ?
Eu1 Eu1 Te1 5_446 . . 107.172(12) ?
Eu1 Eu1 Te1 5_446 . 1_565 165.66(3) ?
Eu1 Eu1 Te1 5_446 . 5_556 48.946(14) ?
Eu1 Eu1 Ag1 5_446 . 1_455 105.810(9) ?
Eu1 Eu1 Ag1 5_446 . 1_465 147.118(11) ?
Eu1 Eu1 Ag1 5_446 . 3_445 105.810(9) ?
Eu1 Eu1 Ag1 5_446 . 3_545 147.118(11) ?
Eu1 Eu1 F1 5_446 . . 37.020(8) ?
Eu1 Eu1 F1 5_446 . 1_655 96.29(2) ?
Eu1 Eu1 F1 5_446 . 3_555 37.020(8) ?
Eu1 Eu1 F1 5_446 . 3_565 96.29(2) ?
Eu1 Eu1 Eu1 5_456 . 5_546 97.89(2) ?
Eu1 Eu1 Eu1 5_456 . 5_556 64.447(13) ?
Eu1 Eu1 Te1 5_456 . 1_455 107.172(12) ?
Eu1 Eu1 Te1 5_456 . 1_465 67.77(2) ?
Eu1 Eu1 Te1 5_456 . . 165.66(3) ?
Eu1 Eu1 Te1 5_456 . 1_565 107.172(12) ?
Eu1 Eu1 Te1 5_456 . 5_556 48.946(14) ?
Eu1 Eu1 Ag1 5_456 . 1_455 147.118(11) ?
Eu1 Eu1 Ag1 5_456 . 1_465 105.810(9) ?
Eu1 Eu1 Ag1 5_456 . 3_445 105.810(9) ?
Eu1 Eu1 Ag1 5_456 . 3_545 147.118(11) ?
Eu1 Eu1 F1 5_456 . . 37.020(8) ?
Eu1 Eu1 F1 5_456 . 1_655 96.29(2) ?
Eu1 Eu1 F1 5_456 . 3_555 96.29(2) ?
Eu1 Eu1 F1 5_456 . 3_565 37.020(8) ?
Eu1 Eu1 Eu1 5_546 . 5_556 64.447(13) ?
Eu1 Eu1 Te1 5_546 . 1_455 107.172(12) ?
Eu1 Eu1 Te1 5_546 . 1_465 165.66(3) ?
Eu1 Eu1 Te1 5_546 . . 67.77(2) ?
Eu1 Eu1 Te1 5_546 . 1_565 107.172(12) ?
Eu1 Eu1 Te1 5_546 . 5_556 48.946(14) ?
Eu1 Eu1 Ag1 5_546 . 1_455 105.810(9) ?
Eu1 Eu1 Ag1 5_546 . 1_465 147.118(11) ?
Eu1 Eu1 Ag1 5_546 . 3_445 147.118(11) ?
Eu1 Eu1 Ag1 5_546 . 3_545 105.810(9) ?
Eu1 Eu1 F1 5_546 . . 96.29(2) ?
Eu1 Eu1 F1 5_546 . 1_655 37.020(8) ?
Eu1 Eu1 F1 5_546 . 3_555 37.020(8) ?
Eu1 Eu1 F1 5_546 . 3_565 96.29(2) ?
Eu1 Eu1 Te1 5_556 . 1_455 165.66(3) ?
Eu1 Eu1 Te1 5_556 . 1_465 107.172(12) ?
Eu1 Eu1 Te1 5_556 . . 107.172(12) ?
Eu1 Eu1 Te1 5_556 . 1_565 67.77(2) ?
Eu1 Eu1 Te1 5_556 . 5_556 48.946(14) ?
Eu1 Eu1 Ag1 5_556 . 1_455 147.118(11) ?
Eu1 Eu1 Ag1 5_556 . 1_465 105.810(9) ?
Eu1 Eu1 Ag1 5_556 . 3_445 147.118(11) ?
Eu1 Eu1 Ag1 5_556 . 3_545 105.810(9) ?
Eu1 Eu1 F1 5_556 . . 96.29(2) ?
Eu1 Eu1 F1 5_556 . 1_655 37.020(8) ?
Eu1 Eu1 F1 5_556 . 3_555 96.29(2) ?
Eu1 Eu1 F1 5_556 . 3_565 37.020(8) ?
Te1 Eu1 Te1 1_455 . 1_465 78.341(15) ?
Te1 Eu1 Te1 1_455 . . 78.341(15) ?
Te1 Eu1 Te1 1_455 . 1_565 126.57(4) ?
Te1 Eu1 Te1 1_455 . 5_556 116.71(2) ?
Te1 Eu1 Ag1 1_455 . 1_455 44.220(17) ?
Te1 Eu1 Ag1 1_455 . 1_465 87.44(2) ?
Te1 Eu1 Ag1 1_455 . 3_445 44.220(17) ?
Te1 Eu1 Ag1 1_455 . 3_545 87.44(2) ?
Te1 Eu1 F1 1_455 . . 72.417(14) ?
Te1 Eu1 F1 1_455 . 1_655 140.674(6) ?
Te1 Eu1 F1 1_455 . 3_555 72.417(14) ?
Te1 Eu1 F1 1_455 . 3_565 140.674(6) ?
Te1 Eu1 Te1 1_465 . . 126.57(4) ?
Te1 Eu1 Te1 1_465 . 1_565 78.341(15) ?
Te1 Eu1 Te1 1_465 . 5_556 116.71(2) ?
Te1 Eu1 Ag1 1_465 . 1_455 87.44(2) ?
Te1 Eu1 Ag1 1_465 . 1_465 44.220(17) ?
Te1 Eu1 Ag1 1_465 . 3_445 44.220(17) ?
Te1 Eu1 Ag1 1_465 . 3_545 87.44(2) ?
Te1 Eu1 F1 1_465 . . 72.417(14) ?
Te1 Eu1 F1 1_465 . 1_655 140.674(6) ?
Te1 Eu1 F1 1_465 . 3_555 140.674(6) ?
Te1 Eu1 F1 1_465 . 3_565 72.417(14) ?
Te1 Eu1 Te1 . . 1_565 78.341(15) ?
Te1 Eu1 Te1 . . 5_556 116.71(2) ?
Te1 Eu1 Ag1 . . 1_455 44.220(17) ?
Te1 Eu1 Ag1 . . 1_465 87.44(2) ?
Te1 Eu1 Ag1 . . 3_445 87.44(2) ?
Te1 Eu1 Ag1 . . 3_545 44.220(17) ?
Te1 Eu1 F1 . . . 140.674(6) ?
Te1 Eu1 F1 . . 1_655 72.417(14) ?
Te1 Eu1 F1 . . 3_555 72.417(14) ?
Te1 Eu1 F1 . . 3_565 140.674(6) ?
Te1 Eu1 Te1 1_565 . 5_556 116.71(2) ?
Te1 Eu1 Ag1 1_565 . 1_455 87.44(2) ?
Te1 Eu1 Ag1 1_565 . 1_465 44.220(17) ?
Te1 Eu1 Ag1 1_565 . 3_445 87.44(2) ?
Te1 Eu1 Ag1 1_565 . 3_545 44.220(17) ?
Te1 Eu1 F1 1_565 . . 140.674(6) ?
Te1 Eu1 F1 1_565 . 1_655 72.417(14) ?
Te1 Eu1 F1 1_565 . 3_555 140.674(6) ?
Te1 Eu1 F1 1_565 . 3_565 72.417(14) ?
Te1 Eu1 Ag1 5_556 . 1_455 147.860(7) ?
Te1 Eu1 Ag1 5_556 . 1_465 147.860(7) ?
Te1 Eu1 Ag1 5_556 . 3_445 147.860(7) ?
Te1 Eu1 Ag1 5_556 . 3_545 147.860(7) ?
Te1 Eu1 F1 5_556 . . 58.373(17) ?
Te1 Eu1 F1 5_556 . 1_655 58.373(17) ?
Te1 Eu1 F1 5_556 . 3_555 58.373(17) ?
Te1 Eu1 F1 5_556 . 3_565 58.373(17) ?
Ag1 Eu1 Ag1 1_455 . 1_465 64.280(14) ?
Ag1 Eu1 Ag1 1_455 . 3_445 44.194(9) ?
Ag1 Eu1 Ag1 1_455 . 3_545 44.194(9) ?
Ag1 Eu1 F1 1_455 . . 116.361(12) ?
Ag1 Eu1 F1 1_455 . 1_655 116.361(12) ?
Ag1 Eu1 F1 1_455 . 3_555 89.486(11) ?
Ag1 Eu1 F1 1_455 . 3_565 153.77(2) ?
Ag1 Eu1 Ag1 1_465 . 3_445 44.194(9) ?
Ag1 Eu1 Ag1 1_465 . 3_545 44.194(9) ?
Ag1 Eu1 F1 1_465 . . 116.361(12) ?
Ag1 Eu1 F1 1_465 . 1_655 116.361(12) ?
Ag1 Eu1 F1 1_465 . 3_555 153.77(2) ?
Ag1 Eu1 F1 1_465 . 3_565 89.486(11) ?
Ag1 Eu1 Ag1 3_445 . 3_545 64.280(14) ?
Ag1 Eu1 F1 3_445 . . 89.486(11) ?
Ag1 Eu1 F1 3_445 . 1_655 153.77(2) ?
Ag1 Eu1 F1 3_445 . 3_555 116.361(12) ?
Ag1 Eu1 F1 3_445 . 3_565 116.361(12) ?
Ag1 Eu1 F1 3_545 . . 153.77(2) ?
Ag1 Eu1 F1 3_545 . 1_655 89.486(11) ?
Ag1 Eu1 F1 3_545 . 3_555 116.361(12) ?
Ag1 Eu1 F1 3_545 . 3_565 116.361(12) ?
F1 Eu1 F1 . . 1_655 116.75(3) ?
F1 Eu1 F1 . . 3_555 74.039(16) ?
F1 Eu1 F1 . . 3_565 74.039(16) ?
F1 Eu1 F1 1_655 . 3_555 74.039(16) ?
F1 Eu1 F1 1_655 . 3_565 74.039(16) ?
F1 Eu1 F1 3_555 . 3_565 116.75(3) ?
Eu1 Te1 Eu1 1_545 . . 78.341(16) ?
Eu1 Te1 Eu1 1_545 . 1_645 78.341(16) ?
Eu1 Te1 Eu1 1_545 . 1_655 126.57(4) ?
Eu1 Te1 Eu1 1_545 . 5_546 63.29(2) ?
Eu1 Te1 Ag1 1_545 . 1_455 79.792(12) ?
Eu1 Te1 Ag1 1_545 . . 140.458(14) ?
Eu1 Te1 Ag1 1_545 . 3_535 79.792(12) ?
Eu1 Te1 Ag1 1_545 . 3_545 140.458(14) ?
Eu1 Te1 Eu1 . . 1_645 126.57(4) ?
Eu1 Te1 Eu1 . . 1_655 78.341(16) ?
Eu1 Te1 Eu1 . . 5_546 63.29(2) ?
Eu1 Te1 Ag1 . . 1_455 79.792(12) ?
Eu1 Te1 Ag1 . . . 140.458(14) ?
Eu1 Te1 Ag1 . . 3_535 140.458(14) ?
Eu1 Te1 Ag1 . . 3_545 79.792(12) ?
Eu1 Te1 Eu1 1_645 . 1_655 78.341(16) ?
Eu1 Te1 Eu1 1_645 . 5_546 63.29(2) ?
Eu1 Te1 Ag1 1_645 . 1_455 140.458(14) ?
Eu1 Te1 Ag1 1_645 . . 79.792(12) ?
Eu1 Te1 Ag1 1_645 . 3_535 79.792(12) ?
Eu1 Te1 Ag1 1_645 . 3_545 140.458(14) ?
Eu1 Te1 Eu1 1_655 . 5_546 63.29(2) ?
Eu1 Te1 Ag1 1_655 . 1_455 140.458(14) ?
Eu1 Te1 Ag1 1_655 . . 79.792(12) ?
Eu1 Te1 Ag1 1_655 . 3_535 140.458(14) ?
Eu1 Te1 Ag1 1_655 . 3_545 79.792(12) ?
Eu1 Te1 Ag1 5_546 . 1_455 131.346(17) ?
Eu1 Te1 Ag1 5_546 . . 131.346(17) ?
Eu1 Te1 Ag1 5_546 . 3_535 131.346(17) ?
Eu1 Te1 Ag1 5_546 . 3_545 131.346(17) ?
Ag1 Te1 Ag1 1_455 . . 97.31(3) ?
Ag1 Te1 Ag1 1_455 . 3_535 64.126(19) ?
Ag1 Te1 Ag1 1_455 . 3_545 64.126(19) ?
Ag1 Te1 Ag1 . . 3_535 64.126(19) ?
Ag1 Te1 Ag1 . . 3_545 64.126(19) ?
Ag1 Te1 Ag1 3_535 . 3_545 97.31(3) ?
Eu1 Ag1 Eu1 1_645 . 1_655 64.280(10) ?
Eu1 Ag1 Eu1 1_645 . 5_545 135.806(6) ?
Eu1 Ag1 Eu1 1_645 . 5_645 135.806(6) ?
Eu1 Ag1 Te1 1_645 . . 55.988(13) ?
Eu1 Ag1 Te1 1_645 . 1_655 55.988(13) ?
Eu1 Ag1 Te1 1_645 . 5_645 99.206(18) ?
Eu1 Ag1 Te1 1_645 . 5_655 163.486(18) ?
Eu1 Ag1 Ag1 1_645 . 3_535 67.903(4) ?
Eu1 Ag1 Ag1 1_645 . 3_545 112.097(4) ?
Eu1 Ag1 Ag1 1_645 . 3_635 67.903(4) ?
Eu1 Ag1 Ag1 1_645 . 3_645 112.097(4) ?
Eu1 Ag1 Eu1 1_655 . 5_545 135.806(6) ?
Eu1 Ag1 Eu1 1_655 . 5_645 135.806(6) ?
Eu1 Ag1 Te1 1_655 . . 55.988(13) ?
Eu1 Ag1 Te1 1_655 . 1_655 55.988(13) ?
Eu1 Ag1 Te1 1_655 . 5_645 163.486(18) ?
Eu1 Ag1 Te1 1_655 . 5_655 99.206(18) ?
Eu1 Ag1 Ag1 1_655 . 3_535 112.097(4) ?
Eu1 Ag1 Ag1 1_655 . 3_545 67.903(4) ?
Eu1 Ag1 Ag1 1_655 . 3_635 112.097(4) ?
Eu1 Ag1 Ag1 1_655 . 3_645 67.903(4) ?
Eu1 Ag1 Eu1 5_545 . 5_645 64.280(10) ?
Eu1 Ag1 Te1 5_545 . . 99.206(18) ?
Eu1 Ag1 Te1 5_545 . 1_655 163.486(18) ?
Eu1 Ag1 Te1 5_545 . 5_645 55.988(13) ?
Eu1 Ag1 Te1 5_545 . 5_655 55.988(13) ?
Eu1 Ag1 Ag1 5_545 . 3_535 67.903(4) ?
Eu1 Ag1 Ag1 5_545 . 3_545 67.903(4) ?
Eu1 Ag1 Ag1 5_545 . 3_635 112.097(4) ?
Eu1 Ag1 Ag1 5_545 . 3_645 112.097(4) ?
Eu1 Ag1 Te1 5_645 . . 163.486(18) ?
Eu1 Ag1 Te1 5_645 . 1_655 99.206(18) ?
Eu1 Ag1 Te1 5_645 . 5_645 55.988(13) ?
Eu1 Ag1 Te1 5_645 . 5_655 55.988(13) ?
Eu1 Ag1 Ag1 5_645 . 3_535 112.097(4) ?
Eu1 Ag1 Ag1 5_645 . 3_545 112.097(4) ?
Eu1 Ag1 Ag1 5_645 . 3_635 67.903(4) ?
Eu1 Ag1 Ag1 5_645 . 3_645 67.903(4) ?
Te1 Ag1 Te1 . . 1_655 97.31(2) ?
Te1 Ag1 Te1 . . 5_645 115.874(13) ?
Te1 Ag1 Te1 . . 5_655 115.874(13) ?
Te1 Ag1 Ag1 . . 3_535 57.937(9) ?
Te1 Ag1 Ag1 . . 3_545 57.937(9) ?
Te1 Ag1 Ag1 . . 3_635 122.063(9) ?
Te1 Ag1 Ag1 . . 3_645 122.063(9) ?
Te1 Ag1 Te1 1_655 . 5_645 115.874(13) ?
Te1 Ag1 Te1 1_655 . 5_655 115.874(13) ?
Te1 Ag1 Ag1 1_655 . 3_535 122.063(9) ?
Te1 Ag1 Ag1 1_655 . 3_545 122.063(9) ?
Te1 Ag1 Ag1 1_655 . 3_635 57.937(9) ?
Te1 Ag1 Ag1 1_655 . 3_645 57.937(9) ?
Te1 Ag1 Te1 5_645 . 5_655 97.31(2) ?
Te1 Ag1 Ag1 5_645 . 3_535 57.937(9) ?
Te1 Ag1 Ag1 5_645 . 3_545 122.063(9) ?
Te1 Ag1 Ag1 5_645 . 3_635 57.937(9) ?
Te1 Ag1 Ag1 5_645 . 3_645 122.063(9) ?
Te1 Ag1 Ag1 5_655 . 3_535 122.063(9) ?
Te1 Ag1 Ag1 5_655 . 3_545 57.937(9) ?
Te1 Ag1 Ag1 5_655 . 3_635 122.063(9) ?
Te1 Ag1 Ag1 5_655 . 3_645 57.937(9) ?
Ag1 Ag1 Ag1 3_535 . 3_545 90.0000(7) ?
Ag1 Ag1 Ag1 3_535 . 3_635 90.0000(7) ?
Ag1 Ag1 Ag1 3_535 . 3_645 180 ?
Ag1 Ag1 Ag1 3_545 . 3_635 180 ?
Ag1 Ag1 Ag1 3_545 . 3_645 90.0000(7) ?
Ag1 Ag1 Ag1 3_635 . 3_645 90.0000(7) ?
Eu1 F1 Eu1 1_455 . . 116.75(2) ?
Eu1 F1 Eu1 1_455 . 5_446 105.961(11) ?
Eu1 F1 Eu1 1_455 . 5_456 105.961(11) ?
Eu1 F1 Eu1 . . 5_446 105.961(11) ?
Eu1 F1 Eu1 . . 5_456 105.961(11) ?
Eu1 F1 Eu1 5_446 . 5_456 116.75(2) ?
