# 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_formula_moiety          'Ge6 La2 Pd'
_chemical_formula_sum             'Ge6 La2 Pd' 
_chemical_formula_weight          819.76

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'
 'La'  'La'  -0.2871   2.4523
 '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                    8.2163(8)
_cell_length_b                    8.4161(9)
_cell_length_c                    11.2943(12)
_cell_angle_alpha                 90
_cell_angle_beta                  100.4770(10)
_cell_angle_gamma                 90
_cell_volume                      767.97(14)
_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 0.586(5)
1 0 0
0 1 0
0 0 1
2 0.414(5)
1 0 -0.5
0 -1 0
0 0 -1


_cell_measurement_temperature     295(2)
_cell_measurement_reflns_used     1030
_cell_measurement_theta_min       3.49
_cell_measurement_theta_max       31.61
 
_exptl_crystal_description        'irregularly shaped' 
_exptl_crystal_colour             'metallic grey'
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     'not measured'
_exptl_crystal_density_diffrn     7.090          
_exptl_crystal_F_000              1408
_exptl_transmission_factor_min    0.434
_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     36.168
_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             1083
_diffrn_reflns_av_unetI/netI      0.0218
_diffrn_reflns_av_R_equivalents   0.0093
_diffrn_standards_number          0
_diffrn_standards_interval_count  0 
_diffrn_standards_interval_time   0
_diffrn_standards_decay_%         0
_diffrn_reflns_limit_h_min        -10
_diffrn_reflns_limit_h_max        10
_diffrn_reflns_limit_k_min        0
_diffrn_reflns_limit_k_max        12
_diffrn_reflns_limit_l_min        0
_diffrn_reflns_limit_l_max        16
_diffrn_reflns_theta_min          1.83
_diffrn_reflns_theta_max          31.56
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.801
_diffrn_measured_fraction_theta_full  0.960
_diffrn_reflns_Laue_measured_fraction_max    0.801
_diffrn_reflns_Laue_measured_fraction_full   0.960
_diffrn_reflns_point_group_measured_fraction_max   0.801
_diffrn_reflns_point_group_measured_fraction_full  0.960
_reflns_number_total              1083
_reflns_number_gt                 1030
_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)+(0.0379P)²+16.6606P] 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        0.00027(6)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          1083
_refine_ls_number_parameters      51
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0254
_refine_ls_R_factor_gt            0.0242
_refine_ls_wR_factor_ref          0.0778
_refine_ls_wR_factor_gt           0.0773
_refine_ls_goodness_of_fit_ref    1.200
_refine_ls_restrained_S_all       1.200
_refine_ls_shift/su_max           0.001
_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
La1 La 0.08402(14) 0.24980(6) 0.33354(3) 0.00451(13) Uani 1 1 d . . . . .
Pd1 Pd 0.19854(18) 0.0000 0.79356(6) 0.00644(17) Uani 1 2 d S T P . .
Ge1 Ge 0.4970(2) 0.0000 0.10927(12) 0.0090(4) Uani 1 2 d S T P . .
Ge2 Ge 0.3585(3) 0.0000 0.42815(11) 0.0071(2) Uani 1 2 d S T P . .
Ge3 Ge 0.0577(2) 0.0000 0.10974(13) 0.0092(4) Uani 1 2 d S T P . .
Ge4 Ge 0.2773(3) 0.22206(8) 0.10943(6) 0.00829(19) Uani 1 1 d . . . . .
Ge5 Ge 0.1438(3) 0.0000 0.56219(10) 0.0058(2) 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
La1 Ge2 3.1191(19) 3_455 ?
La1 Ge2 3.1259(19) . ?
La1 Ge5 3.1408(18) 7_556 ?
La1 Ge5 3.1798(19) 5_556 ?
La1 Ge4 3.2321(18) . ?
La1 Ge4 3.2393(17) 8_455 ?
La1 Pd1 3.2587(12) 7_556 ?
La1 Ge3 3.2646(11) . ?
La1 Pd1 3.2648(12) 5_556 ?
La1 Ge1 3.2715(12) 3_455 ?
La1 Ge5 3.2968(10) . ?
La1 Ge2 3.3822(10) 7_556 ?
Pd1 Ge3 2.542(2) 5_556 ?
Pd1 Ge1 2.542(2) 5_656 ?
Pd1 Ge5 2.5697(13) . ?
Pd1 Ge4 2.5754(8) 7_556 ?
Pd1 Ge4 2.5754(8) 4_546 ?
Pd1 La1 3.2587(12) 7_556 ?
Pd1 La1 3.2587(12) 4_546 ?
Pd1 La1 3.2647(12) 5_556 ?
Pd1 La1 3.2647(12) 2_556 ?
Ge1 Ge1 2.478(3) 5_655 ?
Ge1 Pd1 2.542(2) 5_656 ?
Ge1 Ge4 2.598(2) 6 ?
Ge1 Ge4 2.599(2) . ?
Ge1 La1 3.2715(12) 8 ?
Ge1 La1 3.2715(12) 3_545 ?
Ge2 Ge5 2.525(4) . ?
Ge2 Ge2 2.582(5) 5_656 ?
Ge2 La1 3.1191(19) 8 ?
Ge2 La1 3.1191(19) 3_545 ?
Ge2 La1 3.1259(19) 6 ?
Ge2 La1 3.3822(10) 7_556 ?
Ge2 La1 3.3822(10) 4_546 ?
Ge3 Ge3 2.488(3) 5 ?
Ge3 Pd1 2.542(2) 5_556 ?
Ge3 Ge4 2.598(2) 6 ?
Ge3 Ge4 2.598(2) . ?
Ge3 La1 3.2645(11) 6 ?
Ge4 Ge4 2.4757(13) 7 ?
Ge4 Pd1 2.5753(8) 7_556 ?
Ge4 La1 3.2393(17) 8 ?
Ge5 Ge5 2.520(5) 5_556 ?
Ge5 La1 3.1408(18) 7_556 ?
Ge5 La1 3.1408(18) 4_546 ?
Ge5 La1 3.1798(19) 5_556 ?
Ge5 La1 3.1798(19) 2_556 ?
Ge5 La1 3.2968(10) 6 ?
 
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 La1 Ge2 140.67(4) 3_455 . ?
Ge2 La1 Ge5 81.13(4) 3_455 7_556 ?
Ge2 La1 Ge5 84.40(5) . 7_556 ?
Ge2 La1 Ge5 83.87(5) 3_455 5_556 ?
Ge2 La1 Ge5 82.26(4) . 5_556 ?
Ge5 La1 Ge5 137.00(4) 7_556 5_556 ?
Ge2 La1 Ge4 136.40(3) 3_455 . ?
Ge2 La1 Ge4 78.02(4) . . ?
Ge5 La1 Ge4 85.65(5) 7_556 . ?
Ge5 La1 Ge4 130.42(3) 5_556 . ?
Ge2 La1 Ge4 78.01(4) 3_455 8_455 ?
Ge2 La1 Ge4 136.60(3) . 8_455 ?
Ge5 La1 Ge4 130.07(3) 7_556 8_455 ?
Ge5 La1 Ge4 84.90(5) 5_556 8_455 ?
Ge4 La1 Ge4 79.428(18) . 8_455 ?
Ge2 La1 Pd1 97.01(4) 3_455 7_556 ?
Ge2 La1 Pd1 99.55(5) . 7_556 ?
Ge5 La1 Pd1 47.31(3) 7_556 7_556 ?
Ge5 La1 Pd1 175.65(3) 5_556 7_556 ?
Ge4 La1 Pd1 46.75(2) . 7_556 ?
Ge4 La1 Pd1 91.11(3) 8_455 7_556 ?
Ge2 La1 Ge3 137.75(5) 3_455 . ?
Ge2 La1 Ge3 76.91(4) . . ?
Ge5 La1 Ge3 131.63(5) 7_556 . ?
Ge5 La1 Ge3 84.29(3) 5_556 . ?
Ge4 La1 Ge3 47.14(3) . . ?
Ge4 La1 Ge3 60.63(3) 8_455 . ?
Pd1 La1 Ge3 92.26(3) 7_556 . ?
Ge2 La1 Pd1 99.56(5) 3_455 5_556 ?
Ge2 La1 Pd1 97.37(4) . 5_556 ?
Ge5 La1 Pd1 175.98(3) 7_556 5_556 ?
Ge5 La1 Pd1 46.98(3) 5_556 5_556 ?
Ge4 La1 Pd1 91.18(3) . 5_556 ?
Ge4 La1 Pd1 46.65(2) 8_455 5_556 ?
Pd1 La1 Pd1 128.71(3) 7_556 5_556 ?
Ge3 La1 Pd1 45.83(4) . 5_556 ?
Ge2 La1 Ge1 76.76(3) 3_455 3_455 ?
Ge2 La1 Ge1 137.73(5) . 3_455 ?
Ge5 La1 Ge1 84.22(3) 7_556 3_455 ?
Ge5 La1 Ge1 130.68(5) 5_556 3_455 ?
Ge4 La1 Ge1 60.62(3) . 3_455 ?
Ge4 La1 Ge1 47.04(3) 8_455 3_455 ?
Pd1 La1 Ge1 45.82(4) 7_556 3_455 ?
Ge3 La1 Ge1 80.829(19) . 3_455 ?
Pd1 La1 Ge1 92.08(3) 5_556 3_455 ?
Ge2 La1 Ge5 100.10(4) 3_455 . ?
Ge2 La1 Ge5 46.21(7) . . ?
Ge5 La1 Ge5 98.01(3) 7_556 . ?
Ge5 La1 Ge5 45.74(8) 5_556 . ?
Ge4 La1 Ge5 122.89(6) . . ?
Ge4 La1 Ge5 129.98(6) 8_455 . ?
Pd1 La1 Ge5 137.87(6) 7_556 . ?
Ge3 La1 Ge5 100.10(3) . . ?
Pd1 La1 Ge5 85.78(4) 5_556 . ?
Ge1 La1 Ge5 175.87(7) 3_455 . ?
Ge2 La1 Ge2 46.59(8) 3_455 7_556 ?
Ge2 La1 Ge2 99.15(3) . 7_556 ?
Ge5 La1 Ge2 45.36(7) 7_556 7_556 ?
Ge5 La1 Ge2 97.09(4) 5_556 7_556 ?
Ge4 La1 Ge2 130.60(6) . 7_556 ?
Ge4 La1 Ge2 123.54(5) 8_455 7_556 ?
Pd1 La1 Ge2 86.55(4) 7_556 7_556 ?
Ge3 La1 Ge2 175.65(7) . 7_556 ?
Pd1 La1 Ge2 137.40(6) 5_556 7_556 ?
Ge1 La1 Ge2 101.23(3) 3_455 7_556 ?
Ge5 La1 Ge2 78.130(17) . 7_556 ?
Ge3 Pd1 Ge1 129.89(4) 5_556 5_656 ?
Ge3 Pd1 Ge5 115.55(9) 5_556 . ?
Ge1 Pd1 Ge5 114.56(9) 5_656 . ?
Ge3 Pd1 Ge4 79.80(5) 5_556 7_556 ?
Ge1 Pd1 Ge4 79.79(5) 5_656 7_556 ?
Ge5 Pd1 Ge4 114.73(2) . 7_556 ?
Ge3 Pd1 Ge4 79.80(5) 5_556 4_546 ?
Ge1 Pd1 Ge4 79.79(5) 5_656 4_546 ?
Ge5 Pd1 Ge4 114.73(2) . 4_546 ?
Ge4 Pd1 Ge4 130.54(4) 7_556 4_546 ?
Ge3 Pd1 La1 138.81(3) 5_556 7_556 ?
Ge1 Pd1 La1 67.35(4) 5_656 7_556 ?
Ge5 Pd1 La1 63.94(5) . 7_556 ?
Ge4 Pd1 La1 66.08(4) 7_556 7_556 ?
Ge4 Pd1 La1 140.21(7) 4_546 7_556 ?
Ge3 Pd1 La1 138.81(3) 5_556 4_546 ?
Ge1 Pd1 La1 67.35(4) 5_656 4_546 ?
Ge5 Pd1 La1 63.94(5) . 4_546 ?
Ge4 Pd1 La1 140.21(7) 7_556 4_546 ?
Ge4 Pd1 La1 66.08(4) 4_546 4_546 ?
La1 Pd1 La1 80.51(4) 7_556 4_546 ?
Ge3 Pd1 La1 67.08(4) 5_556 5_556 ?
Ge1 Pd1 La1 139.03(3) 5_656 5_556 ?
Ge5 Pd1 La1 64.78(5) . 5_556 ?
Ge4 Pd1 La1 139.96(7) 7_556 5_556 ?
Ge4 Pd1 La1 66.16(4) 4_546 5_556 ?
La1 Pd1 La1 128.71(3) 7_556 5_556 ?
La1 Pd1 La1 78.064(12) 4_546 5_556 ?
Ge3 Pd1 La1 67.08(4) 5_556 2_556 ?
Ge1 Pd1 La1 139.03(3) 5_656 2_556 ?
Ge5 Pd1 La1 64.78(5) . 2_556 ?
Ge4 Pd1 La1 66.16(4) 7_556 2_556 ?
Ge4 Pd1 La1 139.96(7) 4_546 2_556 ?
La1 Pd1 La1 78.064(12) 7_556 2_556 ?
La1 Pd1 La1 128.71(3) 4_546 2_556 ?
La1 Pd1 La1 80.18(4) 5_556 2_556 ?
Ge1 Ge1 Pd1 103.53(10) 5_655 5_656 ?
Ge1 Ge1 Ge4 98.06(7) 5_655 6 ?
Pd1 Ge1 Ge4 128.96(5) 5_656 6 ?
Ge1 Ge1 Ge4 98.06(7) 5_655 . ?
Pd1 Ge1 Ge4 128.96(5) 5_656 . ?
Ge4 Ge1 Ge4 91.98(9) 6 . ?
Ge1 Ge1 La1 136.91(4) 5_655 8 ?
Pd1 Ge1 La1 66.83(4) 5_656 8 ?
Ge4 Ge1 La1 121.09(6) 6 8 ?
Ge4 Ge1 La1 65.83(4) . 8 ?
Ge1 Ge1 La1 136.91(4) 5_655 3_545 ?
Pd1 Ge1 La1 66.83(4) 5_656 3_545 ?
Ge4 Ge1 La1 65.83(4) 6 3_545 ?
Ge4 Ge1 La1 121.09(6) . 3_545 ?
La1 Ge1 La1 80.13(4) 8 3_545 ?
Ge5 Ge2 Ge2 105.70(7) . 5_656 ?
Ge5 Ge2 La1 136.78(2) . 8 ?
Ge2 Ge2 La1 72.07(8) 5_656 8 ?
Ge5 Ge2 La1 136.78(2) . 3_545 ?
Ge2 Ge2 La1 72.07(8) 5_656 3_545 ?
La1 Ge2 La1 84.92(6) 8 3_545 ?
Ge5 Ge2 La1 70.47(8) . 6 ?
Ge2 Ge2 La1 136.56(2) 5_656 6 ?
La1 Ge2 La1 140.67(4) 8 6 ?
La1 Ge2 La1 82.269(15) 3_545 6 ?
Ge5 Ge2 La1 70.47(8) . . ?
Ge2 Ge2 La1 136.56(2) 5_656 . ?
La1 Ge2 La1 82.269(15) 8 . ?
La1 Ge2 La1 140.67(4) 3_545 . ?
La1 Ge2 La1 84.53(6) 6 . ?
Ge5 Ge2 La1 62.26(3) . 7_556 ?
Ge2 Ge2 La1 61.34(4) 5_656 7_556 ?
La1 Ge2 La1 81.18(4) 8 7_556 ?
La1 Ge2 La1 133.41(8) 3_545 7_556 ?
La1 Ge2 La1 132.72(8) 6 7_556 ?
La1 Ge2 La1 80.85(3) . 7_556 ?
Ge5 Ge2 La1 62.26(3) . 4_546 ?
Ge2 Ge2 La1 61.34(4) 5_656 4_546 ?
La1 Ge2 La1 133.41(8) 8 4_546 ?
La1 Ge2 La1 81.18(4) 3_545 4_546 ?
La1 Ge2 La1 80.85(3) 6 4_546 ?
La1 Ge2 La1 132.72(8) . 4_546 ?
La1 Ge2 La1 77.01(3) 7_556 4_546 ?
Ge3 Ge3 Pd1 103.44(11) 5 5_556 ?
Ge3 Ge3 Ge4 97.92(7) 5 6 ?
Pd1 Ge3 Ge4 129.07(5) 5_556 6 ?
Ge3 Ge3 Ge4 97.92(7) 5 . ?
Pd1 Ge3 Ge4 129.07(5) 5_556 . ?
Ge4 Ge3 Ge4 92.00(9) 6 . ?
Ge3 Ge3 La1 136.97(4) 5 6 ?
Pd1 Ge3 La1 67.09(4) 5_556 6 ?
Ge4 Ge3 La1 65.77(4) 6 6 ?
Ge4 Ge3 La1 121.07(6) . 6 ?
Ge3 Ge3 La1 136.97(4) 5 . ?
Pd1 Ge3 La1 67.09(4) 5_556 . ?
Ge4 Ge3 La1 121.07(6) 6 . ?
Ge4 Ge3 La1 65.77(4) . . ?
La1 Ge3 La1 80.18(4) 6 . ?
Ge4 Ge4 Pd1 103.78(4) 7 7_556 ?
Ge4 Ge4 Ge3 97.94(9) 7 . ?
Pd1 Ge4 Ge3 130.73(8) 7_556 . ?
Ge4 Ge4 Ge1 97.81(9) 7 . ?
Pd1 Ge4 Ge1 130.83(8) 7_556 . ?
Ge3 Ge4 Ge1 88.01(3) . . ?
Ge4 Ge4 La1 137.94(13) 7 . ?
Pd1 Ge4 La1 67.17(4) 7_556 . ?
Ge3 Ge4 La1 67.08(5) . . ?
Ge1 Ge4 La1 119.53(4) . . ?
Ge4 Ge4 La1 137.77(13) 7 8 ?
Pd1 Ge4 La1 67.19(4) 7_556 8 ?
Ge3 Ge4 La1 119.55(4) . 8 ?
Ge1 Ge4 La1 67.13(5) . 8 ?
La1 Ge4 La1 78.812(18) . 8 ?
Ge5 Ge5 Ge2 110.62(7) 5_556 . ?
Ge5 Ge5 Pd1 122.69(14) 5_556 . ?
Ge2 Ge5 Pd1 126.69(13) . . ?
Ge5 Ge5 La1 137.79(3) 5_556 7_556 ?
Ge2 Ge5 La1 72.38(8) . 7_556 ?
Pd1 Ge5 La1 68.76(4) . 7_556 ?
Ge5 Ge5 La1 137.79(3) 5_556 4_546 ?
Ge2 Ge5 La1 72.38(8) . 4_546 ?
Pd1 Ge5 La1 68.76(4) . 4_546 ?
La1 Ge5 La1 84.20(6) 7_556 4_546 ?
Ge5 Ge5 La1 69.58(8) 5_556 5_556 ?
Ge2 Ge5 La1 138.12(2) . 5_556 ?
Pd1 Ge5 La1 68.25(5) . 5_556 ?
La1 Ge5 La1 137.00(4) 7_556 5_556 ?
La1 Ge5 La1 81.074(15) 4_546 5_556 ?
Ge5 Ge5 La1 69.58(8) 5_556 2_556 ?
Ge2 Ge5 La1 138.12(2) . 2_556 ?
Pd1 Ge5 La1 68.25(5) . 2_556 ?
La1 Ge5 La1 81.074(15) 7_556 2_556 ?
La1 Ge5 La1 137.00(4) 4_546 2_556 ?
La1 Ge5 La1 82.78(6) 5_556 2_556 ?
Ge5 Ge5 La1 64.68(4) 5_556 . ?
Ge2 Ge5 La1 63.33(3) . . ?
Pd1 Ge5 La1 140.368(15) . . ?
La1 Ge5 La1 81.99(3) 7_556 . ?
La1 Ge5 La1 135.70(8) 4_546 . ?
La1 Ge5 La1 134.26(8) 5_556 . ?
La1 Ge5 La1 81.64(4) 2_556 . ?
Ge5 Ge5 La1 64.68(4) 5_556 6 ?
Ge2 Ge5 La1 63.33(3) . 6 ?
Pd1 Ge5 La1 140.368(16) . 6 ?
La1 Ge5 La1 135.70(8) 7_556 6 ?
La1 Ge5 La1 81.99(3) 4_546 6 ?
La1 Ge5 La1 81.64(4) 5_556 6 ?
La1 Ge5 La1 134.26(8) 2_556 6 ?
La1 Ge5 La1 79.24(3) . 6 ?
 
_refine_diff_density_max    2.334
_refine_diff_density_min   -2.613
_refine_diff_density_rms    0.517


