# 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 IYustriale
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 AY AUTHOR LIST

_publ_section_title              
;
A new glance on the R₂MGe₆ (R = rare earth metal, M=another metal)
compouYs. An experimental aY theoretical study of R₂PdGe₆ germanides.
;
# --------------------------------------------------------------------------
loop_
	_publ_author_name
        _publ_author_footnote
	_publ_author_address
'De Negri, Serena'
;
Dipartimento di Chimica e Chimica IYustriale
Sezione di Chimica Inorganica e Metallurgia
Università di Genova
Via Dodecaneso 31
I-16146 Genova
Italy
;
'Freccero, Riccardo'
;
Dipartimento di Chimica e Chimica IYustriale
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 IYustriale
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 Nd2 Pd'
_chemical_formula_sum             'Ge6 Nd2 Pd' 
_chemical_formula_weight          830.42

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'
 'Nd'  'Nd'  -0.1943   3.0179
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       orthorhombic
_space_group_IT_number            64
_space_group_name_H-M_alt         'C m c a'
_space_group_name_Hall            '-C 2bc 2'
 
_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+1/2, z+1/2'
 '-x, y+1/2, -z+1/2'
 'x, -y, -z'
 'x+1/2, y+1/2, z'
 '-x+1/2, -y+1, z+1/2'
 '-x+1/2, y+1, -z+1/2'
 'x+1/2, -y+1/2, -z'
 '-x, -y, -z'
 'x, y-1/2, -z-1/2'
 'x, -y-1/2, z-1/2'
 '-x, y, z'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, y, -z-1/2'
 'x+1/2, -y, z-1/2'
 '-x+1/2, y+1/2, z'
 
_cell_length_a                    8.2831(4)
_cell_length_b                    8.1323(4)
_cell_length_c                    21.9147(10)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 90
_cell_volume                      1476.19(12)
_cell_formula_units_Z             8
_cell_measurement_temperature     295(2)
_cell_measurement_reflns_used     848
_cell_measurement_theta_min       3.63
_cell_measurement_theta_max       30.98
 
_exptl_crystal_description        'irregularly shaped' 
_exptl_crystal_colour             'metallic grey'
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_density_diffrn     7.473          
_exptl_crystal_F_000              2864
_exptl_transmission_factor_min    0.4685
_exptl_transmission_factor_max    0.7463
_exptl_crystal_size_max           0.04
_exptl_crystal_size_mid           0.02
_exptl_crystal_size_min           0.01
_exptl_absorpt_coefficient_mu     40.125
_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 SADABS'  
_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             17151
_diffrn_reflns_av_unetI/netI      0.0263
_diffrn_reflns_av_R_equivalents   0.0592
_diffrn_standards_number          0
_diffrn_standards_interval_count  0 
_diffrn_standards_interval_time   0
_diffrn_standards_decay_%         0
_diffrn_reflns_limit_h_min        -12
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_l_min        -32
_diffrn_reflns_limit_l_max        31
_diffrn_reflns_theta_min          1.859
_diffrn_reflns_theta_max          31.668
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.983
_diffrn_measured_fraction_theta_full  1.000
_diffrn_reflns_Laue_measured_fraction_max    0.983
_diffrn_reflns_Laue_measured_fraction_full   1.000
_diffrn_reflns_point_group_measured_fraction_max   0.983
_diffrn_reflns_point_group_measured_fraction_full  1.000
_reflns_number_total              1307
_reflns_number_gt                 848
_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-2014/7 (Sheldrick, 2014)'
_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)+(0.0030P)²+3.5717P] 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        0.000153(7)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          1307
_refine_ls_number_parameters      50
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0351
_refine_ls_R_factor_gt            0.0165
_refine_ls_wR_factor_ref          0.0354
_refine_ls_wR_factor_gt           0.0299
_refine_ls_goodness_of_fit_ref    1.002
_refine_ls_restrained_S_all       1.002
_refine_ls_shift/su_max           0.000
_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
Nd Nd 0.25049(2) 0.37514(13) 0.08233(2) 0.00527(5) Uani 1 1 d . . . . .
Ge1 Ge 0.0000 0.1291(3) 0.03023(2) 0.00652(12) Uani 1 2 d S T P . .
Ge2 Ge 0.0000 0.1213(3) 0.46146(2) 0.00765(12) Uani 1 2 d S T P . .
Ge3 Ge 0.0000 0.40492(8) 0.19422(3) 0.00718(16) Uani 1 2 d S T P . .
Ge4 Ge 0.0000 0.34617(8) 0.30599(3) 0.00691(16) Uani 1 2 d S T P . .
Ge5 Ge 0.27729(4) 0.12536(16) 0.19416(2) 0.00686(8) Uani 1 1 d . . . . .
Pd Pd 0.0000 0.12572(6) 0.14453(2) 0.00585(8) Uani 1 2 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
Nd Ge2 3.039(2) 10_566 ?
Nd Ge2 3.074(2) 14_556 ?
Nd Ge1 3.100(2) . ?
Nd Ge1 3.137(2) 5 ?
Nd Ge5 3.1909(11) . ?
Nd Ge5 3.1939(11) 16 ?
Nd Pd 3.2058(8) . ?
Nd Pd 3.2067(8) 5 ?
Nd Ge4 3.2120(5) 14_556 ?
Nd Ge1 3.2181(5) 13 ?
Nd Ge3 3.2212(5) . ?
Nd Ge2 3.3647(5) 2_554 ?
Ge1 Ge1 2.483(5) 9 ?
Ge1 Pd 2.5051(6) . ?
Ge1 Ge2 2.528(4) 2_554 ?
Ge1 Nd 3.100(2) 12 ?
Ge1 Nd 3.137(2) 5_445 ?
Ge1 Nd 3.137(2) 16_545 ?
Ge1 Nd 3.2181(5) 8_455 ?
Ge1 Nd 3.2181(5) 13 ?
Ge2 Ge1 2.528(4) 2 ?
Ge2 Ge2 2.598(4) 9_556 ?
Ge2 Nd 3.039(2) 3_545 ?
Ge2 Nd 3.039(2) 10_556 ?
Ge2 Nd 3.074(2) 7_545 ?
Ge2 Nd 3.074(2) 14_456 ?
Ge2 Nd 3.3647(5) 11_566 ?
Ge2 Nd 3.3647(5) 2 ?
Ge3 Ge4 2.4956(8) . ?
Ge3 Pd 2.5181(9) . ?
Ge3 Ge5 2.5723(11) 16 ?
Ge3 Ge5 2.5723(11) 5_455 ?
Ge3 Nd 3.2213(5) 12 ?
Ge4 Pd 2.5188(9) 10_566 ?
Ge4 Ge5 2.5744(11) 14_456 ?
Ge4 Ge5 2.5744(11) 7_545 ?
Ge4 Nd 3.2121(5) 7_545 ?
Ge4 Nd 3.2121(5) 14_456 ?
Ge5 Ge5 2.4888(7) 7_545 ?
Ge5 Pd 2.5413(4) . ?
Ge5 Ge3 2.5723(11) 5_545 ?
Ge5 Ge4 2.5744(11) 14_556 ?
Ge5 Nd 3.1939(11) 16_545 ?
Pd Ge4 2.5187(9) 10_556 ?
Pd Ge5 2.5413(4) 12 ?
Pd Nd 3.2059(8) 12 ?
Pd Nd 3.2067(8) 5_445 ?
Pd Nd 3.2067(8) 16_545 ?
 
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 Nd Ge2 143.39(2) 10_566 14_556 ?
Ge2 Nd Ge1 81.488(14) 10_566 . ?
Ge2 Nd Ge1 84.36(7) 14_556 . ?
Ge2 Nd Ge1 84.33(7) 10_566 5 ?
Ge2 Nd Ge1 83.426(14) 14_556 5 ?
Ge1 Nd Ge1 137.036(19) . 5 ?
Ge2 Nd Ge5 135.191(18) 10_566 . ?
Ge2 Nd Ge5 76.44(4) 14_556 . ?
Ge1 Nd Ge5 85.33(4) . . ?
Ge1 Nd Ge5 130.754(19) 5 . ?
Ge2 Nd Ge5 76.90(4) 10_566 16 ?
Ge2 Nd Ge5 135.698(19) 14_556 16 ?
Ge1 Nd Ge5 130.21(2) . 16 ?
Ge1 Nd Ge5 84.68(4) 5 16 ?
Ge5 Nd Ge5 79.700(10) . 16 ?
Ge2 Nd Pd 96.27(3) 10_566 . ?
Ge2 Nd Pd 98.22(5) 14_556 . ?
Ge1 Nd Pd 46.78(2) . . ?
Ge1 Nd Pd 176.13(3) 5 . ?
Ge5 Nd Pd 46.816(15) . . ?
Ge5 Nd Pd 91.728(18) 16 . ?
Ge2 Nd Pd 98.95(5) 10_566 5 ?
Ge2 Nd Pd 97.24(3) 14_556 5 ?
Ge1 Nd Pd 176.402(16) . 5 ?
Ge1 Nd Pd 46.50(2) 5 5 ?
Ge5 Nd Pd 91.901(18) . 5 ?
Ge5 Nd Pd 46.787(15) 16 5 ?
Pd Nd Pd 129.674(14) . 5 ?
Ge2 Nd Ge4 136.74(5) 10_566 14_556 ?
Ge2 Nd Ge4 75.880(17) 14_556 14_556 ?
Ge1 Nd Ge4 131.60(5) . 14_556 ?
Ge1 Nd Ge4 84.359(17) 5 14_556 ?
Ge5 Nd Ge4 47.413(17) . 14_556 ?
Ge5 Nd Ge4 60.552(17) 16 14_556 ?
Pd Nd Ge4 92.637(18) . 14_556 ?
Pd Nd Ge4 46.208(15) 5 14_556 ?
Ge2 Nd Ge1 101.74(3) 10_566 13 ?
Ge2 Nd Ge1 47.30(7) 14_556 13 ?
Ge1 Nd Ge1 98.08(3) . 13 ?
Ge1 Nd Ge1 45.97(8) 5 13 ?
Ge5 Nd Ge1 122.49(4) . 13 ?
Ge5 Nd Ge1 129.88(5) 16 13 ?
Pd Nd Ge1 137.29(5) . 13 ?
Pd Nd Ge1 85.34(3) 5 13 ?
Ge4 Nd Ge1 99.787(11) 14_556 13 ?
Ge2 Nd Ge3 75.586(17) 10_566 . ?
Ge2 Nd Ge3 136.14(4) 14_556 . ?
Ge1 Nd Ge3 84.134(17) . . ?
Ge1 Nd Ge3 130.69(5) 5 . ?
Ge5 Nd Ge3 60.528(17) . . ?
Ge5 Nd Ge3 47.277(17) 16 . ?
Pd Nd Ge3 46.132(15) . . ?
Pd Nd Ge3 92.506(18) 5 . ?
Ge4 Nd Ge3 80.788(10) 14_556 . ?
Ge1 Nd Ge3 176.29(6) 13 . ?
Ge2 Nd Ge2 47.53(7) 10_566 2_554 ?
Ge2 Nd Ge2 100.05(3) 14_556 2_554 ?
Ge1 Nd Ge2 45.81(7) . 2_554 ?
Ge1 Nd Ge2 96.55(3) 5 2_554 ?
Ge5 Nd Ge2 130.77(5) . 2_554 ?
Ge5 Nd Ge2 123.66(4) 16 2_554 ?
Pd Nd Ge2 86.62(3) . 2_554 ?
Pd Nd Ge2 136.61(5) 5 2_554 ?
Ge4 Nd Ge2 175.73(5) 14_556 2_554 ?
Ge1 Nd Ge2 78.039(10) 13 2_554 ?
Ge3 Nd Ge2 101.620(12) . 2_554 ?
Ge1 Ge1 Pd 121.62(13) 9 . ?
Ge1 Ge1 Ge2 111.16(4) 9 2_554 ?
Pd Ge1 Ge2 127.22(14) . 2_554 ?
Ge1 Ge1 Nd 137.93(3) 9 12 ?
Pd Ge1 Nd 68.83(3) . 12 ?
Ge2 Ge1 Nd 72.62(9) 2_554 12 ?
Ge1 Ge1 Nd 137.93(3) 9 . ?
Pd Ge1 Nd 68.83(3) . . ?
Ge2 Ge1 Nd 72.63(9) 2_554 . ?
Nd Ge1 Nd 84.02(7) 12 . ?
Ge1 Ge1 Nd 68.74(8) 9 5_445 ?
Pd Ge1 Nd 68.21(3) . 5_445 ?
Ge2 Ge1 Nd 138.207(17) 2_554 5_445 ?
Nd Ge1 Nd 81.371(7) 12 5_445 ?
Nd Ge1 Nd 137.04(2) . 5_445 ?
Ge1 Ge1 Nd 68.74(8) 9 16_545 ?
Pd Ge1 Nd 68.21(3) . 16_545 ?
Ge2 Ge1 Nd 138.207(17) 2_554 16_545 ?
Nd Ge1 Nd 137.04(2) 12 16_545 ?
Nd Ge1 Nd 81.371(7) . 16_545 ?
Nd Ge1 Nd 82.42(6) 5_445 16_545 ?
Ge1 Ge1 Nd 65.29(2) 9 8_455 ?
Pd Ge1 Nd 140.021(8) . 8_455 ?
Ge2 Ge1 Nd 63.36(2) 2_554 8_455 ?
Nd Ge1 Nd 81.91(3) 12 8_455 ?
Nd Ge1 Nd 135.97(7) . 8_455 ?
Nd Ge1 Nd 81.30(3) 5_445 8_455 ?
Nd Ge1 Nd 134.03(8) 16_545 8_455 ?
Ge1 Ge1 Nd 65.29(2) 9 13 ?
Pd Ge1 Nd 140.021(8) . 13 ?
Ge2 Ge1 Nd 63.36(2) 2_554 13 ?
Nd Ge1 Nd 135.97(7) 12 13 ?
Nd Ge1 Nd 81.92(3) . 13 ?
Nd Ge1 Nd 134.03(8) 5_445 13 ?
Nd Ge1 Nd 81.30(3) 16_545 13 ?
Nd Ge1 Nd 79.915(14) 8_455 13 ?
Ge1 Ge2 Ge2 102.84(3) 2 9_556 ?
Ge1 Ge2 Nd 135.825(16) 2 3_545 ?
Ge2 Ge2 Nd 72.83(9) 9_556 3_545 ?
Ge1 Ge2 Nd 135.825(16) 2 10_556 ?
Ge2 Ge2 Nd 72.83(9) 9_556 10_556 ?
Nd Ge2 Nd 86.12(7) 3_545 10_556 ?
Ge1 Ge2 Nd 69.33(8) 2 7_545 ?
Ge2 Ge2 Nd 135.476(14) 9_556 7_545 ?
Nd Ge2 Nd 143.40(2) 3_545 7_545 ?
Nd Ge2 Nd 83.385(7) 10_556 7_545 ?
Ge1 Ge2 Nd 69.33(8) 2 14_456 ?
Ge2 Ge2 Nd 135.476(14) 9_556 14_456 ?
Nd Ge2 Nd 83.385(7) 3_545 14_456 ?
Nd Ge2 Nd 143.40(2) 10_556 14_456 ?
Nd Ge2 Nd 84.48(7) 7_545 14_456 ?
Ge1 Ge2 Nd 61.57(3) 2 11_566 ?
Ge2 Ge2 Nd 59.64(3) 9_556 11_566 ?
Nd Ge2 Nd 132.47(7) 3_545 11_566 ?
Nd Ge2 Nd 80.39(3) 10_556 11_566 ?
Nd Ge2 Nd 79.95(3) 7_545 11_566 ?
Nd Ge2 Nd 130.88(7) 14_456 11_566 ?
Ge1 Ge2 Nd 61.57(3) 2 2 ?
Ge2 Ge2 Nd 59.64(3) 9_556 2 ?
Nd Ge2 Nd 80.39(3) 3_545 2 ?
Nd Ge2 Nd 132.47(7) 10_556 2 ?
Nd Ge2 Nd 130.88(7) 7_545 2 ?
Nd Ge2 Nd 79.95(3) 14_456 2 ?
Nd Ge2 Nd 76.142(13) 11_566 2 ?
Ge4 Ge3 Pd 104.58(3) . . ?
Ge4 Ge3 Ge5 97.69(2) . 16 ?
Pd Ge3 Ge5 128.92(2) . 16 ?
Ge4 Ge3 Ge5 97.69(2) . 5_455 ?
Pd Ge3 Ge5 128.92(2) . 5_455 ?
Ge5 Ge3 Ge5 91.64(5) 16 5_455 ?
Ge4 Ge3 Nd 137.118(13) . . ?
Pd Ge3 Nd 66.61(2) . . ?
Ge5 Ge3 Nd 65.80(2) 16 . ?
Ge5 Ge3 Nd 120.93(3) 5_455 . ?
Ge4 Ge3 Nd 137.119(13) . 12 ?
Pd Ge3 Nd 66.61(2) . 12 ?
Ge5 Ge3 Nd 120.93(3) 16 12 ?
Ge5 Ge3 Nd 65.80(2) 5_455 12 ?
Nd Ge3 Nd 80.196(16) . 12 ?
Ge3 Ge4 Pd 104.46(3) . 10_566 ?
Ge3 Ge4 Ge5 97.60(2) . 14_456 ?
Pd Ge4 Ge5 129.06(2) 10_566 14_456 ?
Ge3 Ge4 Ge5 97.60(2) . 7_545 ?
Pd Ge4 Ge5 129.06(2) 10_566 7_545 ?
Ge5 Ge4 Ge5 91.54(5) 14_456 7_545 ?
Ge3 Ge4 Nd 137.211(13) . 7_545 ?
Pd Ge4 Nd 66.78(2) 10_566 7_545 ?
Ge5 Ge4 Nd 120.88(3) 14_456 7_545 ?
Ge5 Ge4 Nd 65.86(2) 7_545 7_545 ?
Ge3 Ge4 Nd 137.211(13) . 14_456 ?
Pd Ge4 Nd 66.78(2) 10_566 14_456 ?
Ge5 Ge4 Nd 65.86(2) 14_456 14_456 ?
Ge5 Ge4 Nd 120.88(3) 7_545 14_456 ?
Nd Ge4 Nd 80.095(16) 7_545 14_456 ?
Ge5 Ge5 Pd 104.87(2) 7_545 . ?
Ge5 Ge5 Ge3 97.46(2) 7_545 5_545 ?
Pd Ge5 Ge3 130.48(5) . 5_545 ?
Ge5 Ge5 Ge4 97.55(2) 7_545 14_556 ?
Pd Ge5 Ge4 130.26(5) . 14_556 ?
Ge3 Ge5 Ge4 88.409(16) 5_545 14_556 ?
Ge5 Ge5 Nd 137.96(2) 7_545 . ?
Pd Ge5 Nd 66.90(2) . . ?
Ge3 Ge5 Nd 119.60(2) 5_545 . ?
Ge4 Ge5 Nd 66.72(3) 14_556 . ?
Ge5 Ge5 Nd 137.86(2) 7_545 16_545 ?
Pd Ge5 Nd 66.87(2) . 16_545 ?
Ge3 Ge5 Nd 66.92(3) 5_545 16_545 ?
Ge4 Ge5 Nd 119.67(2) 14_556 16_545 ?
Nd Ge5 Nd 79.115(10) . 16_545 ?
Ge1 Pd Ge3 114.99(7) . . ?
Ge1 Pd Ge4 116.12(7) . 10_556 ?
Ge3 Pd Ge4 128.88(2) . 10_556 ?
Ge1 Pd Ge5 115.337(11) . . ?
Ge3 Pd Ge5 79.40(3) . . ?
Ge4 Pd Ge5 79.32(3) 10_556 . ?
Ge1 Pd Ge5 115.338(11) . 12 ?
Ge3 Pd Ge5 79.40(3) . 12 ?
Ge4 Pd Ge5 79.32(3) 10_556 12 ?
Ge5 Pd Ge5 129.32(2) . 12 ?
Ge1 Pd Nd 64.40(4) . . ?
Ge3 Pd Nd 67.26(2) . . ?
Ge4 Pd Nd 138.949(15) 10_556 . ?
Ge5 Pd Nd 66.28(2) . . ?
Ge5 Pd Nd 140.14(4) 12 . ?
Ge1 Pd Nd 64.39(4) . 12 ?
Ge3 Pd Nd 67.26(2) . 12 ?
Ge4 Pd Nd 138.949(15) 10_556 12 ?
Ge5 Pd Nd 140.14(4) . 12 ?
Ge5 Pd Nd 66.28(2) 12 12 ?
Nd Pd Nd 80.66(2) . 12 ?
Ge1 Pd Nd 65.28(5) . 5_445 ?
Ge3 Pd Nd 139.187(15) . 5_445 ?
Ge4 Pd Nd 67.01(2) 10_556 5_445 ?
Ge5 Pd Nd 139.79(4) . 5_445 ?
Ge5 Pd Nd 66.34(2) 12 5_445 ?
Nd Pd Nd 129.673(14) . 5_445 ?
Nd Pd Nd 78.705(6) 12 5_445 ?
Ge1 Pd Nd 65.28(5) . 16_545 ?
Ge3 Pd Nd 139.187(15) . 16_545 ?
Ge4 Pd Nd 67.01(2) 10_556 16_545 ?
Ge5 Pd Nd 66.34(2) . 16_545 ?
Ge5 Pd Nd 139.79(4) 12 16_545 ?
Nd Pd Nd 78.706(6) . 16_545 ?
Nd Pd Nd 129.672(14) 12 16_545 ?
Nd Pd Nd 80.26(2) 5_445 16_545 ?
 
_refine_diff_density_max    1.257
_refine_diff_density_min   -1.046
_refine_diff_density_rms    0.252



