# 1. SUBMISSION DETAILS
data_publication_text
_ccdc_journal_manuscript_code    'Inorg. Chem.'
_publ_requested_journal          'Inorganic Chemistry'
_publ_requested_category         FA
_publ_requested_coeditor_name    ?
_publ_contact_author_name        'Dr. Pavlo Solokha'
_publ_contact_author_address     
;Dipartimento di Chimica e Chimica Industriale
Sezione di Chimica Inorganica e Metallurgia
Università di Genova
Via Dodecaneso 31
I-16146 Genova
Italy
;
_publ_contact_author_email       'pavlo.solokha@unige.it'
_publ_contact_author_phone       '+39 010 3536159'
#
#=============================================================================

# 2. TITLE AND AUTHOR LIST

_publ_section_title              
;
A new glance on the R₂MGe₆ (R = rare earth metal, M=another metal)
compounds. An experimental and theoretical study of R₂PdGe₆ germanides.
;
# --------------------------------------------------------------------------
loop_
	_publ_author_name
        _publ_author_footnote
	_publ_author_address
'De Negri, Serena'
;
Dipartimento di Chimica e Chimica Industriale
Sezione di Chimica Inorganica e Metallurgia
Università di Genova
Via Dodecaneso 31
I-16146 Genova
Italy
;
'Freccero, Riccardo'
;
Dipartimento di Chimica e Chimica Industriale
Sezione di Chimica Inorganica e Metallurgia
Università di Genova
Via Dodecaneso 31
I-16146 Genova
Italy
;
'Proserpio, Davide Maria'
;
Università degli studi di Milano
Dipartimento di Chimica
Via Golgi 19
I-20133 Milano
Italy
;
;
Also at Samara Center for Theoretical Materials Science (SCTMS)
Samara State University
443011 Samara
Russian Federation
;
'Saccone, Adriana'
;
Dipartimento di Chimica e Chimica Industriale
Sezione di Chimica Inorganica e Metallurgia
Università di Genova
Via Dodecaneso 31
I-16146 Genova
Italy
;
#=============================================================================
data_shelx
 
_audit_creation_method            'SHELXL-2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'Ge6 Pd Pr2'
_chemical_formula_sum             'Ge6 Pd Pr2' 
_chemical_formula_weight          823.76

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'Ge'  'Ge'   0.1547   1.8001
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pd'  'Pd'  -0.9988   1.0072
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pr'  'Pr'  -0.2180   2.8214
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            12
_space_group_name_H-M_alt         'C 2/m'
_space_group_name_Hall            '-C 2y'
 
_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+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z'
 '-x, -y, -z'
 'x, -y, z'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z'
 
_cell_length_a                    8.157(2)
_cell_length_b                    8.328(2)
_cell_length_c                    11.195(2)
_cell_angle_alpha                 90
_cell_angle_beta                  100.391(3)
_cell_angle_gamma                 90
_cell_volume                      748.1(3)
_cell_formula_units_Z             4

loop_
 _twin_individual_id
 _twin_individual_mass_fraction_refined
 _twin_individual_twin_matrix_11
 _twin_individual_twin_matrix_12
 _twin_individual_twin_matrix_13
 _twin_individual_twin_matrix_21
 _twin_individual_twin_matrix_22
 _twin_individual_twin_matrix_23
 _twin_individual_twin_matrix_31
 _twin_individual_twin_matrix_32
 _twin_individual_twin_matrix_33
1 0.577(5)
1 0 0
0 1 0
0 0 1
2 0.423(5)
1 0 -0.5
0 -1 0
0 0 -1

_cell_measurement_temperature     295(2)
_cell_measurement_reflns_used     1062
_cell_measurement_theta_min       3.679
_cell_measurement_theta_max       30.626
 
_exptl_crystal_description        'irregularly shaped' 
_exptl_crystal_colour             'metallic grey'
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     'not measured'
_exptl_crystal_density_diffrn     7.314          
_exptl_crystal_F_000              1424
_exptl_transmission_factor_min    0.519
_exptl_transmission_factor_max    0.746
_exptl_crystal_size_max           0.04
_exptl_crystal_size_mid           0.04
_exptl_crystal_size_min           0.03
_exptl_absorpt_coefficient_mu     38.733
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    'Bruker TWINABS'
_diffrn_ambient_temperature       295(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker APEXII'
_diffrn_measurement_method        'ω scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             1262
_diffrn_reflns_av_unetI/netI      0.0246
_diffrn_reflns_av_R_equivalents    0.038
_diffrn_standards_number          0
_diffrn_standards_interval_count  0 
_diffrn_standards_interval_time   0
_diffrn_standards_decay_%         0
_diffrn_reflns_limit_h_min        -11
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        0
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_l_min        0
_diffrn_reflns_limit_l_max        16
_diffrn_reflns_theta_min          1.849
_diffrn_reflns_theta_max          31.467
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.953
_diffrn_measured_fraction_theta_full  1.000
_diffrn_reflns_Laue_measured_fraction_max    0.953
_diffrn_reflns_Laue_measured_fraction_full   1.000
_diffrn_reflns_point_group_measured_fraction_max   0.953
_diffrn_reflns_point_group_measured_fraction_full  1.000
_reflns_number_total              1262
_reflns_number_gt                 1062
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 _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-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0578P)²+0.4689P] 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-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef        0.00023(9)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          1262
_refine_ls_number_parameters      51
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0501
_refine_ls_R_factor_gt            0.0357
_refine_ls_wR_factor_ref          0.1209
_refine_ls_wR_factor_gt           0.1166
_refine_ls_goodness_of_fit_ref    1.453
_refine_ls_restrained_S_all       1.453
_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
Pr1 Pr 0.0832(3) 0.24962(7) 0.33491(4) 0.0047(2) Uani 1 1 d . . . . .
Pd1 Pd 0.1979(2) 0.0000 0.78994(10) 0.0056(2) Uani 1 2 d S T P . .
Ge1 Ge 0.1453(6) 0.0000 0.56086(15) 0.0057(3) Uani 1 2 d S T P . .
Ge2 Ge 0.3580(6) 0.0000 0.42433(15) 0.0075(3) Uani 1 2 d S T P . .
Ge3 Ge 0.4981(3) 0.0000 0.11115(16) 0.0070(5) Uani 1 2 d S T P . .
Ge4 Ge 0.0573(3) 0.0000 0.11150(17) 0.0068(5) Uani 1 2 d S T P . .
Ge5 Ge 0.2778(4) 0.22270(12) 0.11130(9) 0.0066(2) Uani 1 1 d . . . . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Pr1 Ge2 3.064(4) 3_455 ?
Pr1 Ge2 3.089(4) . ?
Pr1 Ge1 3.111(4) 7_556 ?
Pr1 Ge1 3.153(4) 5_556 ?
Pr1 Ge5 3.205(3) . ?
Pr1 Ge5 3.206(3) 8_455 ?
Pr1 Pd1 3.221(2) 5_556 ?
Pr1 Pd1 3.224(2) 7_556 ?
Pr1 Ge4 3.2297(16) . ?
Pr1 Ge3 3.2369(15) 3_455 ?
Pr1 Ge1 3.2428(14) . ?
Pr1 Ge2 3.3730(15) 7_556 ?
Pd1 Ge1 2.523(2) . ?
Pd1 Ge4 2.525(3) 5_556 ?
Pd1 Ge3 2.527(3) 5_656 ?
Pd1 Ge5 2.5526(12) 7_556 ?
Pd1 Ge5 2.5526(12) 4_546 ?
Pd1 Pr1 3.221(2) 5_556 ?
Pd1 Pr1 3.221(2) 2_556 ?
Pd1 Pr1 3.224(2) 7_556 ?
Pd1 Pr1 3.224(2) 4_546 ?
Ge1 Ge2 2.511(8) . ?
Ge1 Ge1 2.513(8) 5_556 ?
Ge1 Pr1 3.111(4) 7_556 ?
Ge1 Pr1 3.111(4) 4_546 ?
Ge1 Pr1 3.153(4) 5_556 ?
Ge1 Pr1 3.153(4) 2_556 ?
Ge1 Pr1 3.2428(14) 6 ?
Ge2 Ge2 2.611(8) 5_656 ?
Ge2 Pr1 3.064(4) 8 ?
Ge2 Pr1 3.064(4) 3_545 ?
Ge2 Pr1 3.089(4) 6 ?
Ge2 Pr1 3.3730(15) 7_556 ?
Ge2 Pr1 3.3730(15) 4_546 ?
Ge3 Ge3 2.494(4) 5_655 ?
Ge3 Pd1 2.527(3) 5_656 ?
Ge3 Ge5 2.582(3) 6 ?
Ge3 Ge5 2.582(3) . ?
Ge3 Pr1 3.2369(15) 8 ?
Ge3 Pr1 3.2369(15) 3_545 ?
Ge4 Ge4 2.503(4) 5 ?
Ge4 Pd1 2.525(3) 5_556 ?
Ge4 Ge5 2.584(3) . ?
Ge4 Ge5 2.584(3) 6 ?
Ge4 Pr1 3.2297(16) 6 ?
Ge5 Ge5 2.493(2) 7 ?
Ge5 Pd1 2.5527(12) 7_556 ?
Ge5 Pr1 3.206(3) 8 ?
 
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
Ge2 Pr1 Ge2 142.66(6) 3_455 . ?
Ge2 Pr1 Ge1 81.34(5) 3_455 7_556 ?
Ge2 Pr1 Ge1 84.47(12) . 7_556 ?
Ge2 Pr1 Ge1 84.17(13) 3_455 5_556 ?
Ge2 Pr1 Ge1 83.07(5) . 5_556 ?
Ge1 Pr1 Ge1 137.00(6) 7_556 5_556 ?
Ge2 Pr1 Ge5 135.52(5) 3_455 . ?
Ge2 Pr1 Ge5 76.89(8) . . ?
Ge1 Pr1 Ge5 85.44(9) 7_556 . ?
Ge1 Pr1 Ge5 130.70(5) 5_556 . ?
Ge2 Pr1 Ge5 77.23(8) 3_455 8_455 ?
Ge2 Pr1 Ge5 135.88(4) . 8_455 ?
Ge1 Pr1 Ge5 130.16(5) 7_556 8_455 ?
Ge1 Pr1 Ge5 84.74(9) 5_556 8_455 ?
Ge5 Pr1 Ge5 79.61(3) . 8_455 ?
Ge2 Pr1 Pd1 99.16(11) 3_455 5_556 ?
Ge2 Pr1 Pd1 97.15(6) . 5_556 ?
Ge1 Pr1 Pd1 176.34(5) 7_556 5_556 ?
Ge1 Pr1 Pd1 46.61(5) 5_556 5_556 ?
Ge5 Pr1 Pd1 91.72(5) . 5_556 ?
Ge5 Pr1 Pd1 46.80(4) 8_455 5_556 ?
Ge2 Pr1 Pd1 96.49(6) 3_455 7_556 ?
Ge2 Pr1 Pd1 98.59(11) . 7_556 ?
Ge1 Pr1 Pd1 46.89(5) 7_556 7_556 ?
Ge1 Pr1 Pd1 176.06(6) 5_556 7_556 ?
Ge5 Pr1 Pd1 46.79(4) . 7_556 ?
Ge5 Pr1 Pd1 91.61(5) 8_455 7_556 ?
Pd1 Pr1 Pd1 129.49(4) 5_556 7_556 ?
Ge2 Pr1 Ge4 137.03(10) 3_455 . ?
Ge2 Pr1 Ge4 76.12(5) . . ?
Ge1 Pr1 Ge4 131.65(11) 7_556 . ?
Ge1 Pr1 Ge4 84.36(5) 5_556 . ?
Ge5 Pr1 Ge4 47.36(5) . . ?
Ge5 Pr1 Ge4 60.55(5) 8_455 . ?
Pd1 Pr1 Ge4 46.09(5) 5_556 . ?
Pd1 Pr1 Ge4 92.56(5) 7_556 . ?
Ge2 Pr1 Ge3 75.93(5) 3_455 3_455 ?
Ge2 Pr1 Ge3 136.57(10) . 3_455 ?
Ge1 Pr1 Ge3 84.11(5) 7_556 3_455 ?
Ge1 Pr1 Ge3 130.73(10) 5_556 3_455 ?
Ge5 Pr1 Ge3 60.52(5) . 3_455 ?
Ge5 Pr1 Ge3 47.26(5) 8_455 3_455 ?
Pd1 Pr1 Ge3 92.49(4) 5_556 3_455 ?
Pd1 Pr1 Ge3 46.06(5) 7_556 3_455 ?
Ge4 Pr1 Ge3 80.82(3) . 3_455 ?
Ge2 Pr1 Ge1 101.54(7) 3_455 . ?
Ge2 Pr1 Ge1 46.65(14) . . ?
Ge1 Pr1 Ge1 97.85(6) 7_556 . ?
Ge1 Pr1 Ge1 46.24(14) 5_556 . ?
Ge5 Pr1 Ge1 122.33(9) . . ?
Ge5 Pr1 Ge1 130.20(9) 8_455 . ?
Pd1 Pr1 Ge1 85.62(6) 5_556 . ?
Pd1 Pr1 Ge1 137.06(10) 7_556 . ?
Ge4 Pr1 Ge1 99.82(4) . . ?
Ge3 Pr1 Ge1 176.58(12) 3_455 . ?
Ge2 Pr1 Ge2 47.57(13) 3_455 7_556 ?
Ge2 Pr1 Ge2 99.61(6) . 7_556 ?
Ge1 Pr1 Ge2 45.34(13) 7_556 7_556 ?
Ge1 Pr1 Ge2 96.90(7) 5_556 7_556 ?
Ge5 Pr1 Ge2 130.43(10) . 7_556 ?
Ge5 Pr1 Ge2 123.92(9) 8_455 7_556 ?
Pd1 Pr1 Ge2 137.15(11) 5_556 7_556 ?
Pd1 Pr1 Ge2 86.37(7) 7_556 7_556 ?
Ge4 Pr1 Ge2 175.40(10) . 7_556 ?
Ge3 Pr1 Ge2 101.53(4) 3_455 7_556 ?
Ge1 Pr1 Ge2 78.07(3) . 7_556 ?
Ge1 Pd1 Ge4 116.23(14) . 5_556 ?
Ge1 Pd1 Ge3 114.76(14) . 5_656 ?
Ge4 Pd1 Ge3 129.02(7) 5_556 5_656 ?
Ge1 Pd1 Ge5 115.22(3) . 7_556 ?
Ge4 Pd1 Ge5 79.42(8) 5_556 7_556 ?
Ge3 Pd1 Ge5 79.44(8) 5_656 7_556 ?
Ge1 Pd1 Ge5 115.21(3) . 4_546 ?
Ge4 Pd1 Ge5 79.42(8) 5_556 4_546 ?
Ge3 Pd1 Ge5 79.44(8) 5_656 4_546 ?
Ge5 Pd1 Ge5 129.57(6) 7_556 4_546 ?
Ge1 Pd1 Pr1 65.28(9) . 5_556 ?
Ge4 Pd1 Pr1 67.13(6) 5_556 5_556 ?
Ge3 Pd1 Pr1 139.08(4) 5_656 5_556 ?
Ge5 Pd1 Pr1 139.94(11) 7_556 5_556 ?
Ge5 Pd1 Pr1 66.27(6) 4_546 5_556 ?
Ge1 Pd1 Pr1 65.28(8) . 2_556 ?
Ge4 Pd1 Pr1 67.13(6) 5_556 2_556 ?
Ge3 Pd1 Pr1 139.08(4) 5_656 2_556 ?
Ge5 Pd1 Pr1 66.27(6) 7_556 2_556 ?
Ge5 Pd1 Pr1 139.94(11) 4_546 2_556 ?
Pr1 Pd1 Pr1 80.39(6) 5_556 2_556 ?
Ge1 Pd1 Pr1 64.22(9) . 7_556 ?
Ge4 Pd1 Pr1 138.95(4) 5_556 7_556 ?
Ge3 Pd1 Pr1 67.25(6) 5_656 7_556 ?
Ge5 Pd1 Pr1 66.22(6) 7_556 7_556 ?
Ge5 Pd1 Pr1 140.10(11) 4_546 7_556 ?
Pr1 Pd1 Pr1 129.49(4) 5_556 7_556 ?
Pr1 Pd1 Pr1 78.52(2) 2_556 7_556 ?
Ge1 Pd1 Pr1 64.22(8) . 4_546 ?
Ge4 Pd1 Pr1 138.95(4) 5_556 4_546 ?
Ge3 Pd1 Pr1 67.25(6) 5_656 4_546 ?
Ge5 Pd1 Pr1 140.10(11) 7_556 4_546 ?
Ge5 Pd1 Pr1 66.22(6) 4_546 4_546 ?
Pr1 Pd1 Pr1 78.52(2) 5_556 4_546 ?
Pr1 Pd1 Pr1 129.49(4) 2_556 4_546 ?
Pr1 Pd1 Pr1 80.61(7) 7_556 4_546 ?
Ge2 Ge1 Ge1 110.98(11) . 5_556 ?
Ge2 Ge1 Pd1 127.6(2) . . ?
Ge1 Ge1 Pd1 121.5(2) 5_556 . ?
Ge2 Ge1 Pr1 72.85(16) . 7_556 ?
Ge1 Ge1 Pr1 137.86(5) 5_556 7_556 ?
Pd1 Ge1 Pr1 68.89(7) . 7_556 ?
Ge2 Ge1 Pr1 72.85(16) . 4_546 ?
Ge1 Ge1 Pr1 137.86(5) 5_556 4_546 ?
Pd1 Ge1 Pr1 68.89(7) . 4_546 ?
Pr1 Ge1 Pr1 84.16(12) 7_556 4_546 ?
Ge2 Ge1 Pr1 138.15(4) . 5_556 ?
Ge1 Ge1 Pr1 68.75(15) 5_556 5_556 ?
Pd1 Ge1 Pr1 68.11(7) . 5_556 ?
Pr1 Ge1 Pr1 136.99(6) 7_556 5_556 ?
Pr1 Ge1 Pr1 81.24(3) 4_546 5_556 ?
Ge2 Ge1 Pr1 138.15(4) . 2_556 ?
Ge1 Ge1 Pr1 68.75(15) 5_556 2_556 ?
Pd1 Ge1 Pr1 68.11(7) . 2_556 ?
Pr1 Ge1 Pr1 81.24(3) 7_556 2_556 ?
Pr1 Ge1 Pr1 136.99(6) 4_546 2_556 ?
Pr1 Ge1 Pr1 82.49(13) 5_556 2_556 ?
Ge2 Ge1 Pr1 63.45(6) . . ?
Ge1 Ge1 Pr1 65.01(7) 5_556 . ?
Pd1 Ge1 Pr1 140.09(2) . . ?
Pr1 Ge1 Pr1 82.15(6) 7_556 . ?
Pr1 Ge1 Pr1 136.28(14) 4_546 . ?
Pr1 Ge1 Pr1 133.76(14) 5_556 . ?
Pr1 Ge1 Pr1 81.16(6) 2_556 . ?
Ge2 Ge1 Pr1 63.45(6) . 6 ?
Ge1 Ge1 Pr1 65.01(7) 5_556 6 ?
Pd1 Ge1 Pr1 140.09(2) . 6 ?
Pr1 Ge1 Pr1 136.28(14) 7_556 6 ?
Pr1 Ge1 Pr1 82.15(6) 4_546 6 ?
Pr1 Ge1 Pr1 81.16(6) 5_556 6 ?
Pr1 Ge1 Pr1 133.76(14) 2_556 6 ?
Pr1 Ge1 Pr1 79.75(4) . 6 ?
Ge1 Ge2 Ge2 103.56(10) . 5_656 ?
Ge1 Ge2 Pr1 136.04(4) . 8 ?
Ge2 Ge2 Pr1 72.44(17) 5_656 8 ?
Ge1 Ge2 Pr1 136.04(4) . 3_545 ?
Ge2 Ge2 Pr1 72.44(17) 5_656 3_545 ?
Pr1 Ge2 Pr1 85.78(14) 8 3_545 ?
Ge1 Ge2 Pr1 69.90(16) . . ?
Ge2 Ge2 Pr1 135.83(4) 5_656 . ?
Pr1 Ge2 Pr1 83.04(2) 8 . ?
Pr1 Ge2 Pr1 142.66(6) 3_545 . ?
Ge1 Ge2 Pr1 69.90(16) . 6 ?
Ge2 Ge2 Pr1 135.83(4) 5_656 6 ?
Pr1 Ge2 Pr1 142.66(6) 8 6 ?
Pr1 Ge2 Pr1 83.04(2) 3_545 6 ?
Pr1 Ge2 Pr1 84.60(13) . 6 ?
Ge1 Ge2 Pr1 61.82(6) . 7_556 ?
Ge2 Ge2 Pr1 60.00(7) 5_656 7_556 ?
Pr1 Ge2 Pr1 80.40(6) 8 7_556 ?
Pr1 Ge2 Pr1 132.43(13) 3_545 7_556 ?
Pr1 Ge2 Pr1 80.39(6) . 7_556 ?
Pr1 Ge2 Pr1 131.70(14) 6 7_556 ?
Ge1 Ge2 Pr1 61.82(6) . 4_546 ?
Ge2 Ge2 Pr1 60.00(7) 5_656 4_546 ?
Pr1 Ge2 Pr1 132.43(13) 8 4_546 ?
Pr1 Ge2 Pr1 80.40(6) 3_545 4_546 ?
Pr1 Ge2 Pr1 131.70(14) . 4_546 ?
Pr1 Ge2 Pr1 80.39(6) 6 4_546 ?
Pr1 Ge2 Pr1 76.37(4) 7_556 4_546 ?
Ge3 Ge3 Pd1 104.43(12) 5_655 5_656 ?
Ge3 Ge3 Ge5 97.73(8) 5_655 6 ?
Pd1 Ge3 Ge5 128.88(7) 5_656 6 ?
Ge3 Ge3 Ge5 97.73(8) 5_655 . ?
Pd1 Ge3 Ge5 128.88(7) 5_656 . ?
Ge5 Ge3 Ge5 91.81(14) 6 . ?
Ge3 Ge3 Pr1 137.10(5) 5_655 8 ?
Pd1 Ge3 Pr1 66.69(6) 5_656 8 ?
Ge5 Ge3 Pr1 120.95(9) 6 8 ?
Ge5 Ge3 Pr1 65.73(5) . 8 ?
Ge3 Ge3 Pr1 137.10(5) 5_655 3_545 ?
Pd1 Ge3 Pr1 66.69(6) 5_656 3_545 ?
Ge5 Ge3 Pr1 65.73(5) 6 3_545 ?
Ge5 Ge3 Pr1 120.95(9) . 3_545 ?
Pr1 Ge3 Pr1 80.21(5) 8 3_545 ?
Ge4 Ge4 Pd1 104.30(13) 5 5_556 ?
Ge4 Ge4 Ge5 97.69(8) 5 . ?
Pd1 Ge4 Ge5 128.99(7) 5_556 . ?
Ge4 Ge4 Ge5 97.69(8) 5 6 ?
Pd1 Ge4 Ge5 128.99(7) 5_556 6 ?
Ge5 Ge4 Ge5 91.73(13) . 6 ?
Ge4 Ge4 Pr1 137.14(5) 5 6 ?
Pd1 Ge4 Pr1 66.78(6) 5_556 6 ?
Ge5 Ge4 Pr1 120.95(8) . 6 ?
Ge5 Ge4 Pr1 65.82(6) 6 6 ?
Ge4 Ge4 Pr1 137.14(5) 5 . ?
Pd1 Ge4 Pr1 66.78(6) 5_556 . ?
Ge5 Ge4 Pr1 65.82(6) . . ?
Ge5 Ge4 Pr1 120.95(8) 6 . ?
Pr1 Ge4 Pr1 80.13(5) 6 . ?
Ge5 Ge5 Pd1 104.71(6) 7 7_556 ?
Ge5 Ge5 Ge3 97.56(13) 7 . ?
Pd1 Ge5 Ge3 130.57(13) 7_556 . ?
Ge5 Ge5 Ge4 97.50(13) 7 . ?
Pd1 Ge5 Ge4 130.44(13) 7_556 . ?
Ge3 Ge5 Ge4 88.23(5) . . ?
Ge5 Ge5 Pr1 137.9(2) 7 . ?
Pd1 Ge5 Pr1 66.99(6) 7_556 . ?
Ge3 Ge5 Pr1 119.57(6) . . ?
Ge4 Ge5 Pr1 66.83(8) . . ?
Ge5 Ge5 Pr1 138.0(2) 7 8 ?
Pd1 Ge5 Pr1 66.92(5) 7_556 8 ?
Ge3 Ge5 Pr1 67.01(8) . 8 ?
Ge4 Ge5 Pr1 119.60(6) . 8 ?
Pr1 Ge5 Pr1 79.03(3) . 8 ?
 
_refine_diff_density_max    4.351
_refine_diff_density_min   -5.293
_refine_diff_density_rms    1.251



