# 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          'Ce2 Ge6 Pd'
_chemical_formula_sum             'Ce2 Ge6 Pd' 
_chemical_formula_weight          822.18

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'
 'Ce'  'Ce'  -0.2486   2.6331
 '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                    8.3548(4)
_cell_length_b                    8.1774(4)
_cell_length_c                    22.0272(9)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 90
_cell_volume                      1504.91(12)
_cell_formula_units_Z             8
_cell_measurement_temperature     295(2)
_cell_measurement_reflns_used     1072
_cell_measurement_theta_min       3.487
_cell_measurement_theta_max       31.548
 
_exptl_crystal_description        'irregularly shaped' 
_exptl_crystal_colour             'metallic grey'
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     'not measured'
_exptl_crystal_density_diffrn     7.258          
_exptl_crystal_F_000              2832
_exptl_transmission_factor_min    0.4792
_exptl_transmission_factor_max    0.7463
_exptl_crystal_size_max           0.1
_exptl_crystal_size_mid           0.05
_exptl_crystal_size_min           0.03
_exptl_absorpt_coefficient_mu     37.658
_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             34004
_diffrn_reflns_av_unetI/netI      0.0084
_diffrn_reflns_av_R_equivalents   0.0276
_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        -12
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_l_min        -31
_diffrn_reflns_limit_l_max        32
_diffrn_reflns_theta_min          1.849
_diffrn_reflns_theta_max          31.624
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.967
_diffrn_measured_fraction_theta_full  0.996
_diffrn_reflns_Laue_measured_fraction_max    0.967
_diffrn_reflns_Laue_measured_fraction_full   0.996
_diffrn_reflns_point_group_measured_fraction_max   0.967
_diffrn_reflns_point_group_measured_fraction_full  0.996
_reflns_number_total              1308
_reflns_number_gt                 1072
_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)+(0.0046P)²+16.9072P] 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        0.000437(11)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          1308
_refine_ls_number_parameters      50
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0260
_refine_ls_R_factor_gt            0.0208
_refine_ls_wR_factor_ref          0.0379
_refine_ls_wR_factor_gt           0.0364
_refine_ls_goodness_of_fit_ref    1.543
_refine_ls_restrained_S_all       1.543
_refine_ls_shift/su_max           0.036
_refine_ls_shift/su_mean          0.006
 
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
Ce1 Ce 0.25042(2) 0.37513(5) 0.08270(2) 0.00492(6) Uani 1 1 d . . . . .
Pd1 Pd 0.0000 0.12526(6) 0.14568(2) 0.00664(8) Uani 1 2 d S T P . .
Ge1 Ge 0.27767(5) 0.12531(8) 0.19461(2) 0.00764(8) Uani 1 1 d . . . . .
Ge2 Ge 0.0000 0.12168(13) 0.46255(2) 0.00746(10) Uani 1 2 d S T P . .
Ge3 Ge 0.0000 0.12849(13) 0.03066(2) 0.00629(10) Uani 1 2 d S T P . .
Ge4 Ge 0.0000 0.34524(7) 0.30553(3) 0.00771(13) Uani 1 2 d S T P . .
Ge5 Ge 0.0000 0.40516(7) 0.19462(3) 0.00763(13) 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
Ce1 Ge2 3.0718(8) 10_566 ?
Ce1 Ge2 3.1043(8) 14_556 ?
Ce1 Ge3 3.1240(8) . ?
Ce1 Ge3 3.1551(8) 5 ?
Ce1 Ge1 3.2096(6) . ?
Ce1 Ge1 3.2120(6) 16 ?
Ce1 Pd1 3.2336(5) 5 ?
Ce1 Ge4 3.2355(5) 14_556 ?
Ce1 Pd1 3.2368(5) . ?
Ce1 Ge5 3.2428(5) . ?
Ce1 Ge3 3.2533(4) 13 ?
Ce1 Ge2 3.3738(5) 2_554 ?
Pd1 Ge4 2.5295(8) 10_556 ?
Pd1 Ge5 2.5301(8) . ?
Pd1 Ge3 2.5337(6) . ?
Pd1 Ge1 2.5580(4) 12 ?
Pd1 Ge1 2.5580(4) . ?
Pd1 Ce1 3.2336(5) 5_445 ?
Pd1 Ce1 3.2336(5) 16_545 ?
Pd1 Ce1 3.2368(5) 12 ?
Ge1 Ge1 2.4835(7) 7_545 ?
Ge1 Ge4 2.5855(7) 14_556 ?
Ge1 Ge5 2.5868(7) 5_545 ?
Ge1 Ce1 3.2121(6) 16_545 ?
Ge2 Ge3 2.5348(16) 2 ?
Ge2 Ge2 2.5851(18) 9_556 ?
Ge2 Ce1 3.0718(8) 3_545 ?
Ge2 Ce1 3.0718(8) 10_556 ?
Ge2 Ce1 3.1043(8) 7_545 ?
Ge2 Ce1 3.1043(8) 14_456 ?
Ge2 Ce1 3.3739(5) 11_566 ?
Ge2 Ce1 3.3739(5) 2 ?
Ge3 Ge3 2.4981(18) 9 ?
Ge3 Ge2 2.5347(16) 2_554 ?
Ge3 Ce1 3.1240(8) 12 ?
Ge3 Ce1 3.1550(8) 5_445 ?
Ge3 Ce1 3.1550(8) 16_545 ?
Ge3 Ce1 3.2533(4) 8_455 ?
Ge3 Ce1 3.2533(4) 13 ?
Ge4 Ge5 2.4917(7) . ?
Ge4 Pd1 2.5295(8) 10_566 ?
Ge4 Ge1 2.5855(7) 14_456 ?
Ge4 Ge1 2.5855(7) 7_545 ?
Ge4 Ce1 3.2355(5) 7_545 ?
Ge4 Ce1 3.2355(5) 14_456 ?
Ge5 Ge1 2.5868(7) 16 ?
Ge5 Ge1 2.5868(7) 5_455 ?
Ge5 Ce1 3.2428(5) 12 ?
 
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 Ce1 Ge2 142.33(2) 10_566 14_556 ?
Ge2 Ce1 Ge3 81.287(13) 10_566 . ?
Ge2 Ce1 Ge3 84.32(2) 14_556 . ?
Ge2 Ce1 Ge3 84.33(2) 10_566 5 ?
Ge2 Ce1 Ge3 82.983(13) 14_556 5 ?
Ge3 Ce1 Ge3 137.161(18) . 5 ?
Ge2 Ce1 Ge1 135.664(13) 10_566 . ?
Ge2 Ce1 Ge1 76.941(17) 14_556 . ?
Ge3 Ce1 Ge1 85.320(18) . . ?
Ge3 Ce1 Ge1 130.551(13) 5 . ?
Ge2 Ce1 Ge1 77.361(18) 10_566 16 ?
Ge2 Ce1 Ge1 136.114(13) 14_556 16 ?
Ge3 Ce1 Ge1 130.082(13) . 16 ?
Ge3 Ce1 Ge1 84.770(18) 5 16 ?
Ge1 Ce1 Ge1 79.697(10) . 16 ?
Ge2 Ce1 Pd1 99.39(2) 10_566 5 ?
Ge2 Ce1 Pd1 97.291(14) 14_556 5 ?
Ge3 Ce1 Pd1 176.097(13) . 5 ?
Ge3 Ce1 Pd1 46.708(13) 5 5 ?
Ge1 Ce1 Pd1 91.570(13) . 5 ?
Ge1 Ce1 Pd1 46.763(10) 16 5 ?
Ge2 Ce1 Ge4 137.34(2) 10_566 14_556 ?
Ge2 Ce1 Ge4 76.171(14) 14_556 14_556 ?
Ge3 Ce1 Ge4 131.46(2) . 14_556 ?
Ge3 Ce1 Ge4 84.268(13) 5 14_556 ?
Ge1 Ce1 Ge4 47.299(13) . 14_556 ?
Ge1 Ce1 Ge4 60.742(13) 16 14_556 ?
Pd1 Ce1 Ge4 46.036(13) 5 14_556 ?
Ge2 Ce1 Pd1 96.495(14) 10_566 . ?
Ge2 Ce1 Pd1 98.65(2) 14_556 . ?
Ge3 Ce1 Pd1 46.906(13) . . ?
Ge3 Ce1 Pd1 175.901(15) 5 . ?
Ge1 Ce1 Pd1 46.756(10) . . ?
Ge1 Ce1 Pd1 91.486(13) 16 . ?
Pd1 Ce1 Pd1 129.219(13) 5 . ?
Ge4 Ce1 Pd1 92.453(12) 14_556 . ?
Ge2 Ce1 Ge5 75.967(14) 10_566 . ?
Ge2 Ce1 Ge5 136.72(2) 14_556 . ?
Ge3 Ce1 Ge5 84.016(13) . . ?
Ge3 Ce1 Ge5 130.76(2) 5 . ?
Ge1 Ce1 Ge5 60.663(13) . . ?
Ge1 Ce1 Ge5 47.247(13) 16 . ?
Pd1 Ce1 Ge5 92.408(12) 5 . ?
Ge4 Ce1 Ge5 80.971(10) 14_556 . ?
Pd1 Ce1 Ge5 45.967(13) . . ?
Ge2 Ce1 Ge3 101.155(16) 10_566 13 ?
Ge2 Ce1 Ge3 46.92(3) 14_556 13 ?
Ge3 Ce1 Ge3 98.149(12) . 13 ?
Ge3 Ce1 Ge3 45.85(3) 5 13 ?
Ge1 Ce1 Ge3 122.566(19) . 13 ?
Ge1 Ce1 Ge3 129.92(2) 16 13 ?
Pd1 Ce1 Ge3 85.509(15) 5 13 ?
Ge4 Ce1 Ge3 99.803(11) 14_556 13 ?
Pd1 Ce1 Ge3 137.52(2) . 13 ?
Ge5 Ce1 Ge3 176.15(2) . 13 ?
Ge2 Ce1 Ge2 47.00(3) 10_566 2_554 ?
Ge2 Ce1 Ge2 99.779(13) 14_556 2_554 ?
Ge3 Ce1 Ge2 45.72(3) . 2_554 ?
Ge3 Ce1 Ge2 96.878(16) 5 2_554 ?
Ge1 Ce1 Ge2 130.65(2) . 2_554 ?
Ge1 Ce1 Ge2 123.490(19) 16 2_554 ?
Pd1 Ce1 Ge2 137.01(2) 5 2_554 ?
Ge4 Ce1 Ge2 175.66(2) 14_556 2_554 ?
Pd1 Ce1 Ge2 86.574(15) . 2_554 ?
Ge5 Ce1 Ge2 101.285(11) . 2_554 ?
Ge3 Ce1 Ge2 78.196(9) 13 2_554 ?
Ge4 Pd1 Ge5 129.64(2) 10_556 . ?
Ge4 Pd1 Ge3 115.74(3) 10_556 . ?
Ge5 Pd1 Ge3 114.62(3) . . ?
Ge4 Pd1 Ge1 79.697(18) 10_556 12 ?
Ge5 Pd1 Ge1 79.648(18) . 12 ?
Ge3 Pd1 Ge1 114.919(11) . 12 ?
Ge4 Pd1 Ge1 79.697(18) 10_556 . ?
Ge5 Pd1 Ge1 79.647(18) . . ?
Ge3 Pd1 Ge1 114.920(11) . . ?
Ge1 Pd1 Ge1 130.16(2) 12 . ?
Ge4 Pd1 Ce1 67.021(16) 10_556 5_445 ?
Ge5 Pd1 Ce1 139.031(10) . 5_445 ?
Ge3 Pd1 Ce1 65.015(18) . 5_445 ?
Ge1 Pd1 Ce1 66.175(14) 12 5_445 ?
Ge1 Pd1 Ce1 139.97(2) . 5_445 ?
Ge4 Pd1 Ce1 67.021(16) 10_556 16_545 ?
Ge5 Pd1 Ce1 139.031(10) . 16_545 ?
Ge3 Pd1 Ce1 65.015(18) . 16_545 ?
Ge1 Pd1 Ce1 139.97(2) 12 16_545 ?
Ge1 Pd1 Ce1 66.177(14) . 16_545 ?
Ce1 Pd1 Ce1 80.307(15) 5_445 16_545 ?
Ge4 Pd1 Ce1 138.898(10) 10_556 . ?
Ge5 Pd1 Ce1 67.142(16) . . ?
Ge3 Pd1 Ce1 64.206(18) . . ?
Ge1 Pd1 Ce1 140.06(2) 12 . ?
Ge1 Pd1 Ce1 66.063(14) . . ?
Ce1 Pd1 Ce1 129.218(13) 5_445 . ?
Ce1 Pd1 Ce1 78.383(6) 16_545 . ?
Ge4 Pd1 Ce1 138.897(10) 10_556 12 ?
Ge5 Pd1 Ce1 67.141(16) . 12 ?
Ge3 Pd1 Ce1 64.207(18) . 12 ?
Ge1 Pd1 Ce1 66.062(14) 12 12 ?
Ge1 Pd1 Ce1 140.06(2) . 12 ?
Ce1 Pd1 Ce1 78.383(6) 5_445 12 ?
Ce1 Pd1 Ce1 129.219(13) 16_545 12 ?
Ce1 Pd1 Ce1 80.541(15) . 12 ?
Ge1 Ge1 Pd1 104.19(2) 7_545 . ?
Ge1 Ge1 Ge4 97.76(2) 7_545 14_556 ?
Pd1 Ge1 Ge4 130.63(3) . 14_556 ?
Ge1 Ge1 Ge5 97.68(2) 7_545 5_545 ?
Pd1 Ge1 Ge5 130.63(3) . 5_545 ?
Ge4 Ge1 Ge5 88.176(17) 14_556 5_545 ?
Ge1 Ge1 Ce1 137.853(13) 7_545 . ?
Pd1 Ge1 Ce1 67.181(15) . . ?
Ge4 Ge1 Ce1 66.875(18) 14_556 . ?
Ge5 Ge1 Ce1 119.598(18) 5_545 . ?
Ge1 Ge1 Ce1 137.767(13) 7_545 16_545 ?
Pd1 Ge1 Ce1 67.060(14) . 16_545 ?
Ge4 Ge1 Ce1 119.641(18) 14_556 16_545 ?
Ge5 Ge1 Ce1 66.998(18) 5_545 16_545 ?
Ce1 Ge1 Ce1 79.093(9) . 16_545 ?
Ge3 Ge2 Ge2 104.04(3) 2 9_556 ?
Ge3 Ge2 Ce1 136.143(10) 2 3_545 ?
Ge2 Ge2 Ce1 72.65(3) 9_556 3_545 ?
Ge3 Ge2 Ce1 136.143(10) 2 10_556 ?
Ge2 Ge2 Ce1 72.65(3) 9_556 10_556 ?
Ce1 Ge2 Ce1 85.86(3) 3_545 10_556 ?
Ge3 Ge2 Ce1 69.63(3) 2 7_545 ?
Ge2 Ge2 Ce1 135.963(12) 9_556 7_545 ?
Ce1 Ge2 Ce1 142.33(2) 3_545 7_545 ?
Ce1 Ge2 Ce1 82.907(7) 10_556 7_545 ?
Ge3 Ge2 Ce1 69.63(3) 2 14_456 ?
Ge2 Ge2 Ce1 135.963(12) 9_556 14_456 ?
Ce1 Ge2 Ce1 82.907(7) 3_545 14_456 ?
Ce1 Ge2 Ce1 142.33(2) 10_556 14_456 ?
Ce1 Ge2 Ce1 84.40(3) 7_545 14_456 ?
Ge3 Ge2 Ce1 61.927(15) 2 11_566 ?
Ge2 Ge2 Ce1 60.348(18) 9_556 11_566 ?
Ce1 Ge2 Ce1 133.00(3) 3_545 11_566 ?
Ce1 Ge2 Ce1 80.632(13) 10_556 11_566 ?
Ce1 Ge2 Ce1 80.221(13) 7_545 11_566 ?
Ce1 Ge2 Ce1 131.55(3) 14_456 11_566 ?
Ge3 Ge2 Ce1 61.927(15) 2 2 ?
Ge2 Ge2 Ce1 60.348(18) 9_556 2 ?
Ce1 Ge2 Ce1 80.632(13) 3_545 2 ?
Ce1 Ge2 Ce1 133.00(3) 10_556 2 ?
Ce1 Ge2 Ce1 131.55(3) 7_545 2 ?
Ce1 Ge2 Ce1 80.221(13) 14_456 2 ?
Ce1 Ge2 Ce1 76.651(13) 11_566 2 ?
Ge3 Ge3 Pd1 122.14(5) 9 . ?
Ge3 Ge3 Ge2 110.98(3) 9 2_554 ?
Pd1 Ge3 Ge2 126.89(5) . 2_554 ?
Ge3 Ge3 Ce1 137.859(12) 9 . ?
Pd1 Ge3 Ce1 68.888(17) . . ?
Ge2 Ge3 Ce1 72.35(3) 2_554 . ?
Ge3 Ge3 Ce1 137.859(12) 9 12 ?
Pd1 Ge3 Ce1 68.887(17) . 12 ?
Ge2 Ge3 Ce1 72.35(3) 2_554 12 ?
Ce1 Ge3 Ce1 84.09(3) . 12 ?
Ge3 Ge3 Ce1 69.15(3) 9 5_445 ?
Pd1 Ge3 Ce1 68.275(17) . 5_445 ?
Ge2 Ge3 Ce1 138.103(10) 2_554 5_445 ?
Ce1 Ge3 Ce1 137.159(18) . 5_445 ?
Ce1 Ge3 Ce1 81.257(7) 12 5_445 ?
Ge3 Ge3 Ce1 69.15(3) 9 16_545 ?
Pd1 Ge3 Ce1 68.275(17) . 16_545 ?
Ge2 Ge3 Ce1 138.103(10) 2_554 16_545 ?
Ce1 Ge3 Ce1 81.258(7) . 16_545 ?
Ce1 Ge3 Ce1 137.159(18) 12 16_545 ?
Ce1 Ge3 Ce1 82.74(3) 5_445 16_545 ?
Ge3 Ge3 Ce1 64.997(18) 9 8_455 ?
Pd1 Ge3 Ce1 140.122(7) . 8_455 ?
Ge2 Ge3 Ce1 63.449(15) 2_554 8_455 ?
Ce1 Ge3 Ce1 135.79(3) . 8_455 ?
Ce1 Ge3 Ce1 81.851(12) 12 8_455 ?
Ce1 Ge3 Ce1 81.335(13) 5_445 8_455 ?
Ce1 Ge3 Ce1 134.15(3) 16_545 8_455 ?
Ge3 Ge3 Ce1 64.997(18) 9 13 ?
Pd1 Ge3 Ce1 140.122(7) . 13 ?
Ge2 Ge3 Ce1 63.449(15) 2_554 13 ?
Ce1 Ge3 Ce1 81.851(12) . 13 ?
Ce1 Ge3 Ce1 135.79(3) 12 13 ?
Ce1 Ge3 Ce1 134.15(3) 5_445 13 ?
Ce1 Ge3 Ce1 81.335(13) 16_545 13 ?
Ce1 Ge3 Ce1 79.722(13) 8_455 13 ?
Ge5 Ge4 Pd1 103.80(3) . 10_566 ?
Ge5 Ge4 Ge1 97.79(2) . 14_456 ?
Pd1 Ge4 Ge1 129.065(17) 10_566 14_456 ?
Ge5 Ge4 Ge1 97.79(2) . 7_545 ?
Pd1 Ge4 Ge1 129.065(18) 10_566 7_545 ?
Ge1 Ge4 Ge1 91.85(3) 14_456 7_545 ?
Ge5 Ge4 Ce1 136.985(12) . 7_545 ?
Pd1 Ge4 Ce1 66.942(16) 10_566 7_545 ?
Ge1 Ge4 Ce1 121.10(2) 14_456 7_545 ?
Ge1 Ge4 Ce1 65.825(14) 7_545 7_545 ?
Ge5 Ge4 Ce1 136.985(11) . 14_456 ?
Pd1 Ge4 Ce1 66.942(16) 10_566 14_456 ?
Ge1 Ge4 Ce1 65.825(14) 14_456 14_456 ?
Ge1 Ge4 Ce1 121.10(2) 7_545 14_456 ?
Ce1 Ge4 Ce1 80.251(15) 7_545 14_456 ?
Ge4 Ge5 Pd1 103.88(3) . . ?
Ge4 Ge5 Ge1 97.87(2) . 16 ?
Pd1 Ge5 Ge1 129.017(17) . 16 ?
Ge4 Ge5 Ge1 97.87(2) . 5_455 ?
Pd1 Ge5 Ge1 129.017(17) . 5_455 ?
Ge1 Ge5 Ge1 91.80(3) 16 5_455 ?
Ge4 Ge5 Ce1 136.928(12) . 12 ?
Pd1 Ge5 Ce1 66.891(16) . 12 ?
Ge1 Ge5 Ce1 121.06(2) 16 12 ?
Ge1 Ge5 Ce1 65.752(14) 5_455 12 ?
Ge4 Ge5 Ce1 136.929(12) . . ?
Pd1 Ge5 Ce1 66.891(16) . . ?
Ge1 Ge5 Ce1 65.752(14) 16 . ?
Ge1 Ge5 Ce1 121.06(2) 5_455 . ?
Ce1 Ge5 Ce1 80.362(15) 12 . ?
 
_refine_diff_density_max    1.035
_refine_diff_density_min   -1.292
_refine_diff_density_rms    0.454



