#------------------------------------------------------------------------------
#$Date: 2021-06-03 10:31:17 +0300 (Thu, 03 Jun 2021) $
#$Revision: 265706 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/31/1563106.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1563106
loop_
_publ_author_name
'Macaluso, Robin T.'
'Francisco, Melanie'
'Young, David P.'
'Stadler, Shane'
'Mitchell, John F.'
'Geiser, Urs'
'Hong, Han-yul'
'Kanatzidis, Mercouri G.'
_publ_section_title
;
 Structure and properties of rhombohedral CePd3Ga8: A variant of the cubic
 parent compound with BaHg11 structure type
;
_journal_issue                   12
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              3185
_journal_page_last               3189
_journal_paper_doi               10.1016/j.jssc.2011.10.001
_journal_volume                  184
_journal_year                    2011
_chemical_formula_moiety         'Ce1 Ga8 Pd3'
_chemical_formula_sum            'Ce Ga8 Pd3'
_chemical_formula_weight         1017.2
_chemical_name_common            CePd3Ga8
_space_group_IT_number           166
_space_group_name_Hall           '-P 3* 2'
_space_group_name_H-M_alt        'R -3 m :R'
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_H-M   'R -3 m :R'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                89.993(17)
_cell_angle_beta                 89.993(17)
_cell_angle_gamma                89.993(17)
_cell_formula_units_Z            3
_cell_length_a                   8.4903(10)
_cell_length_b                   8.4903(10)
_cell_length_c                   8.4903(10)
_cell_measurement_reflns_used    561
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      56.52
_cell_measurement_theta_min      2
_cell_volume                     612.02(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       θ/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1920
_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    37.735
_exptl_absorpt_correction_T_max  0.8645
_exptl_absorpt_correction_T_min  0.8614
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    8.282
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.833
_refine_diff_density_min         -2.975
_refine_diff_density_rms         0.399
_refine_ls_extinction_coef       0.0105(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     39
_refine_ls_number_reflns         561
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0323P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0800
_reflns_number_gt                462
_reflns_number_total             561
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2011-184-3185.cif
_cod_data_source_block           r-CePd3Ga8
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ce1 Ga8 Pd3'
_cod_database_code               1563106
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'z, x, y'
'y, z, x'
'-y, -x, -z'
'-x, -z, -y'
'-z, -y, -x'
'-x, -y, -z'
'-z, -x, -y'
'-y, -z, -x'
'y, x, z'
'x, z, y'
'z, y, x'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd2 Pd 0.16400(11) 0.16400(11) 0.16400(11) 0.0087(4) Uani 1 6 d S . .
Pd1 Pd 0.0000 0.33669(8) 0.66331(8) 0.0074(3) Uani 1 2 d S . .
Ce1 Ce 0.0000 0.0000 0.5000 0.0072(3) Uani 1 4 d S . .
Ga1 Ga 0.35851(12) 0.01075(17) 0.35851(12) 0.0088(4) Uani 1 2 d S . .
Pd3 Pd -0.5000 0.5000 0.5000 0.0148(6) Uani 1 12 d S . .
Ga2 Ga -0.26207(11) 0.26207(11) 0.5000 0.0096(4) Uani 1 2 d S . .
Ga3 Ga 0.16102(12) 0.16102(12) -0.14213(17) 0.0098(4) Uani 1 2 d S . .
Ga4 Ga 0.26832(12) 0.26832(12) 0.51453(17) 0.0107(4) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ga Ga 0.2307 1.6083 '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'
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
Ga3 Pd2 Ga3 88.87(6) . 3
Ga3 Pd2 Ga3 88.87(6) . 2
Ga3 Pd2 Ga3 88.88(6) 3 2
Ga3 Pd2 Ga1 61.68(5) . 2
Ga3 Pd2 Ga1 128.240(19) 3 2
Ga3 Pd2 Ga1 128.240(19) 2 2
Ga3 Pd2 Ga1 128.241(19) . .
Ga3 Pd2 Ga1 61.67(5) 3 .
Ga3 Pd2 Ga1 128.242(19) 2 .
Ga1 Pd2 Ga1 102.68(5) 2 .
Ga3 Pd2 Ga1 128.241(19) . 3
Ga3 Pd2 Ga1 128.241(19) 3 3
Ga3 Pd2 Ga1 61.67(5) 2 3
Ga1 Pd2 Ga1 102.68(5) 2 3
Ga1 Pd2 Ga1 102.68(5) . 3
Ga3 Pd2 Ce1 66.577(14) . 3
Ga3 Pd2 Ce1 144.59(7) 3 3
Ga3 Pd2 Ce1 66.576(14) 2 3
Ga1 Pd2 Ce1 62.889(10) 2 3
Ga1 Pd2 Ce1 153.73(7) . 3
Ga1 Pd2 Ce1 62.889(10) 3 3
Ga3 Pd2 Ce1 66.577(14) . 2
Ga3 Pd2 Ce1 66.576(14) 3 2
Ga3 Pd2 Ce1 144.59(7) 2 2
Ga1 Pd2 Ce1 62.889(10) 2 2
Ga1 Pd2 Ce1 62.889(10) . 2
Ga1 Pd2 Ce1 153.73(7) 3 2
Ce1 Pd2 Ce1 119.988(1) 3 2
Ga3 Pd2 Ce1 144.59(7) . .
Ga3 Pd2 Ce1 66.577(14) 3 .
Ga3 Pd2 Ce1 66.577(14) 2 .
Ga1 Pd2 Ce1 153.73(7) 2 .
Ga1 Pd2 Ce1 62.889(10) . .
Ga1 Pd2 Ce1 62.889(10) 3 .
Ce1 Pd2 Ce1 119.987(1) 3 .
Ce1 Pd2 Ce1 119.987(1) 2 .
Ga1 Pd1 Ga1 81.90(6) 3 9_566
Ga1 Pd1 Ga3 129.24(5) 3 9_556
Ga1 Pd1 Ga3 130.75(4) 9_566 9_556
Ga1 Pd1 Ga3 130.75(4) 3 1_556
Ga1 Pd1 Ga3 129.24(5) 9_566 1_556
Ga3 Pd1 Ga3 63.37(7) 9_556 1_556
Ga1 Pd1 Ga4 102.30(5) 3 9_566
Ga1 Pd1 Ga4 60.90(4) 9_566 9_566
Ga3 Pd1 Ga4 74.24(4) 9_556 9_566
Ga3 Pd1 Ga4 125.42(4) 1_556 9_566
Ga1 Pd1 Ga4 60.90(4) 3 .
Ga1 Pd1 Ga4 102.30(5) 9_566 .
Ga3 Pd1 Ga4 125.42(4) 9_556 .
Ga3 Pd1 Ga4 74.24(4) 1_556 .
Ga4 Pd1 Ga4 159.16(6) 9_566 .
Ga1 Pd1 Ga2 99.70(5) 3 3_556
Ga1 Pd1 Ga2 62.18(4) 9_566 3_556
Ga3 Pd1 Ga2 128.52(5) 9_556 3_556
Ga3 Pd1 Ga2 73.33(3) 1_556 3_556
Ga4 Pd1 Ga2 114.19(4) 9_566 3_556
Ga4 Pd1 Ga2 61.24(4) . 3_556
Ga1 Pd1 Ga2 62.18(4) 3 .
Ga1 Pd1 Ga2 99.70(5) 9_566 .
Ga3 Pd1 Ga2 73.33(3) 9_556 .
Ga3 Pd1 Ga2 128.52(5) 1_556 .
Ga4 Pd1 Ga2 61.24(4) 9_566 .
Ga4 Pd1 Ga2 114.19(4) . .
Ga2 Pd1 Ga2 157.23(5) 3_556 .
Ga1 Pd1 Ce1 68.23(3) 3 .
Ga1 Pd1 Ce1 149.97(4) 9_566 .
Ga3 Pd1 Ce1 71.35(3) 9_556 .
Ga3 Pd1 Ce1 76.25(4) 1_556 .
Ga4 Pd1 Ce1 121.38(3) 9_566 .
Ga4 Pd1 Ce1 66.28(3) . .
Ga2 Pd1 Ce1 124.41(3) 3_556 .
Ga2 Pd1 Ce1 64.16(3) . .
Ga1 Pd1 Ce1 149.97(4) 3 3_556
Ga1 Pd1 Ce1 68.23(3) 9_566 3_556
Ga3 Pd1 Ce1 76.25(4) 9_556 3_556
Ga3 Pd1 Ce1 71.34(3) 1_556 3_556
Ga4 Pd1 Ce1 66.28(3) 9_566 3_556
Ga4 Pd1 Ce1 121.38(3) . 3_556
Ga2 Pd1 Ce1 64.16(3) 3_556 3_556
Ga2 Pd1 Ce1 124.41(3) . 3_556
Ce1 Pd1 Ce1 141.76(3) . 3_556
Ga2 Ce1 Ga2 180.0 7_556 .
Ga2 Ce1 Pd1 129.505(14) 7_556 2_455
Ga2 Ce1 Pd1 50.495(14) . 2_455
Ga2 Ce1 Pd1 50.495(13) 7_556 7_556
Ga2 Ce1 Pd1 129.505(14) . 7_556
Pd1 Ce1 Pd1 79.01(3) 2_455 7_556
Ga2 Ce1 Pd1 129.504(14) 7_556 .
Ga2 Ce1 Pd1 50.495(13) . .
Pd1 Ce1 Pd1 100.99(3) 2_455 .
Pd1 Ce1 Pd1 180.0 7_556 .
Ga2 Ce1 Pd1 50.495(14) 7_556 8_656
Ga2 Ce1 Pd1 129.505(14) . 8_656
Pd1 Ce1 Pd1 179.999(1) 2_455 8_656
Pd1 Ce1 Pd1 100.99(3) 7_556 8_656
Pd1 Ce1 Pd1 79.01(3) . 8_656
Ga2 Ce1 Ga4 90.0 7_556 7_556
Ga2 Ce1 Ga4 90.0 . 7_556
Pd1 Ce1 Ga4 49.27(2) 2_455 7_556
Pd1 Ce1 Ga4 49.27(2) 7_556 7_556
Pd1 Ce1 Ga4 130.73(2) . 7_556
Pd1 Ce1 Ga4 130.73(2) 8_656 7_556
Ga2 Ce1 Ga4 90.0 7_556 .
Ga2 Ce1 Ga4 90.0 . .
Pd1 Ce1 Ga4 130.73(2) 2_455 .
Pd1 Ce1 Ga4 130.73(2) 7_556 .
Pd1 Ce1 Ga4 49.27(2) . .
Pd1 Ce1 Ga4 49.27(2) 8_656 .
Ga4 Ce1 Ga4 180.00(3) 7_556 .
Ga2 Ce1 Ga1 129.62(2) 7_556 3
Ga2 Ce1 Ga1 50.38(2) . 3
Pd1 Ce1 Ga1 82.24(3) 2_455 3
Pd1 Ce1 Ga1 132.57(3) 7_556 3
Pd1 Ce1 Ga1 47.43(3) . 3
Pd1 Ce1 Ga1 97.76(3) 8_656 3
Ga4 Ce1 Ga1 131.50(3) 7_556 3
Ga4 Ce1 Ga1 48.50(3) . 3
Ga2 Ce1 Ga1 50.38(2) 7_556 .
Ga2 Ce1 Ga1 129.62(2) . .
Pd1 Ce1 Ga1 132.57(3) 2_455 .
Pd1 Ce1 Ga1 82.24(3) 7_556 .
Pd1 Ce1 Ga1 97.76(3) . .
Pd1 Ce1 Ga1 47.43(3) 8_656 .
Ga4 Ce1 Ga1 131.50(3) 7_556 .
Ga4 Ce1 Ga1 48.50(3) . .
Ga1 Ce1 Ga1 79.25(5) 3 .
Ga2 Ce1 Ga1 129.62(3) 7_556 7_556
Ga2 Ce1 Ga1 50.38(2) . 7_556
Pd1 Ce1 Ga1 47.43(3) 2_455 7_556
Pd1 Ce1 Ga1 97.76(3) 7_556 7_556
Pd1 Ce1 Ga1 82.24(3) . 7_556
Pd1 Ce1 Ga1 132.57(3) 8_656 7_556
Ga4 Ce1 Ga1 48.50(3) 7_556 7_556
Ga4 Ce1 Ga1 131.50(3) . 7_556
Ga1 Ce1 Ga1 100.75(5) 3 7_556
Ga1 Ce1 Ga1 180.0 . 7_556
Ga2 Ce1 Ga1 50.38(2) 7_556 9_556
Ga2 Ce1 Ga1 129.62(2) . 9_556
Pd1 Ce1 Ga1 97.76(3) 2_455 9_556
Pd1 Ce1 Ga1 47.43(3) 7_556 9_556
Pd1 Ce1 Ga1 132.57(3) . 9_556
Pd1 Ce1 Ga1 82.24(3) 8_656 9_556
Ga4 Ce1 Ga1 48.50(3) 7_556 9_556
Ga4 Ce1 Ga1 131.50(3) . 9_556
Ga1 Ce1 Ga1 180.0 3 9_556
Ga1 Ce1 Ga1 100.75(5) . 9_556
Ga1 Ce1 Ga1 79.25(5) 7_556 9_556
Pd1 Ga1 Pd1 98.10(6) 2 8_656
Pd1 Ga1 Ga4 60.89(4) 2 2
Pd1 Ga1 Ga4 110.49(7) 8_656 2
Pd1 Ga1 Ga4 110.49(6) 2 .
Pd1 Ga1 Ga4 60.89(4) 8_656 .
Ga4 Ga1 Ga4 67.26(8) 2 .
Pd1 Ga1 Pd2 126.07(4) 2 .
Pd1 Ga1 Pd2 126.07(4) 8_656 .
Ga4 Ga1 Pd2 74.38(5) 2 .
Ga4 Ga1 Pd2 74.38(5) . .
Pd1 Ga1 Ga3 123.86(4) 2 3
Pd1 Ga1 Ga3 123.86(4) 8_656 3
Ga4 Ga1 Ga3 121.56(6) 2 3
Ga4 Ga1 Ga3 121.56(6) . 3
Pd2 Ga1 Ga3 57.81(5) . 3
Pd1 Ga1 Ga2 60.73(3) 2 2
Pd1 Ga1 Ga2 107.46(6) 8_656 2
Ga4 Ga1 Ga2 112.96(4) 2 2
Ga4 Ga1 Ga2 165.61(7) . 2
Pd2 Ga1 Ga2 119.90(6) . 2
Ga3 Ga1 Ga2 71.34(5) 3 2
Pd1 Ga1 Ga2 107.46(6) 2 7_556
Pd1 Ga1 Ga2 60.73(3) 8_656 7_556
Ga4 Ga1 Ga2 165.61(7) 2 7_556
Ga4 Ga1 Ga2 112.96(4) . 7_556
Pd2 Ga1 Ga2 119.90(6) . 7_556
Ga3 Ga1 Ga2 71.34(5) 3 7_556
Ga2 Ga1 Ga2 62.97(6) 2 7_556
Pd1 Ga1 Ce1 64.339(19) 2 2
Pd1 Ga1 Ce1 162.19(5) 8_656 2
Ga4 Ga1 Ce1 64.79(4) 2 2
Ga4 Ga1 Ce1 126.13(6) . 2
Pd2 Ga1 Ce1 70.48(3) . 2
Ga3 Ga1 Ce1 68.74(3) 3 2
Ga2 Ga1 Ce1 62.40(3) 2 2
Ga2 Ga1 Ce1 119.64(5) 7_556 2
Pd1 Ga1 Ce1 162.19(5) 2 .
Pd1 Ga1 Ce1 64.34(2) 8_656 .
Ga4 Ga1 Ce1 126.13(6) 2 .
Ga4 Ga1 Ce1 64.79(4) . .
Pd2 Ga1 Ce1 70.48(3) . .
Ga3 Ga1 Ce1 68.74(3) 3 .
Ga2 Ga1 Ce1 119.64(5) 2 .
Ga2 Ga1 Ce1 62.40(3) 7_556 .
Ce1 Ga1 Ce1 132.97(5) 2 .
Ga4 Pd3 Ga4 64.12(5) 3_455 2_455
Ga4 Pd3 Ga4 115.88(5) 3_455 7_566
Ga4 Pd3 Ga4 115.88(5) 2_455 7_566
Ga4 Pd3 Ga4 64.12(5) 3_455 1_455
Ga4 Pd3 Ga4 64.12(5) 2_455 1_455
Ga4 Pd3 Ga4 180.0 7_566 1_455
Ga4 Pd3 Ga4 180.0 3_455 9_566
Ga4 Pd3 Ga4 115.88(5) 2_455 9_566
Ga4 Pd3 Ga4 64.12(5) 7_566 9_566
Ga4 Pd3 Ga4 115.88(5) 1_455 9_566
Ga4 Pd3 Ga4 115.88(5) 3_455 8_566
Ga4 Pd3 Ga4 180.0 2_455 8_566
Ga4 Pd3 Ga4 64.12(5) 7_566 8_566
Ga4 Pd3 Ga4 115.88(5) 1_455 8_566
Ga4 Pd3 Ga4 64.12(5) 9_566 8_566
Ga4 Pd3 Ga2 122.06(3) 3_455 .
Ga4 Pd3 Ga2 57.94(3) 2_455 .
Ga4 Pd3 Ga2 90.0 7_566 .
Ga4 Pd3 Ga2 90.0 1_455 .
Ga4 Pd3 Ga2 57.94(3) 9_566 .
Ga4 Pd3 Ga2 122.06(3) 8_566 .
Ga4 Pd3 Ga2 90.0 3_455 9_565
Ga4 Pd3 Ga2 57.94(3) 2_455 9_565
Ga4 Pd3 Ga2 57.94(3) 7_566 9_565
Ga4 Pd3 Ga2 122.06(3) 1_455 9_565
Ga4 Pd3 Ga2 90.0 9_566 9_565
Ga4 Pd3 Ga2 122.06(3) 8_566 9_565
Ga2 Pd3 Ga2 60.0 . 9_565
Ga4 Pd3 Ga2 57.94(3) 3_455 2_465
Ga4 Pd3 Ga2 90.0 2_455 2_465
Ga4 Pd3 Ga2 57.94(3) 7_566 2_465
Ga4 Pd3 Ga2 122.06(3) 1_455 2_465
Ga4 Pd3 Ga2 122.06(3) 9_566 2_465
Ga4 Pd3 Ga2 90.0 8_566 2_465
Ga2 Pd3 Ga2 120.0 . 2_465
Ga2 Pd3 Ga2 60.0 9_565 2_465
Ga4 Pd3 Ga2 57.94(3) 3_455 7_466
Ga4 Pd3 Ga2 122.06(3) 2_455 7_466
Ga4 Pd3 Ga2 90.0 7_566 7_466
Ga4 Pd3 Ga2 90.0 1_455 7_466
Ga4 Pd3 Ga2 122.06(3) 9_566 7_466
Ga4 Pd3 Ga2 57.94(3) 8_566 7_466
Ga2 Pd3 Ga2 180.0 . 7_466
Ga2 Pd3 Ga2 120.0 9_565 7_466
Ga2 Pd3 Ga2 60.0 2_465 7_466
Ga4 Pd3 Ga2 90.0 3_455 3_456
Ga4 Pd3 Ga2 122.06(3) 2_455 3_456
Ga4 Pd3 Ga2 122.06(3) 7_566 3_456
Ga4 Pd3 Ga2 57.94(3) 1_455 3_456
Ga4 Pd3 Ga2 90.0 9_566 3_456
Ga4 Pd3 Ga2 57.94(3) 8_566 3_456
Ga2 Pd3 Ga2 120.0 . 3_456
Ga2 Pd3 Ga2 180.0 9_565 3_456
Ga2 Pd3 Ga2 120.0 2_465 3_456
Ga2 Pd3 Ga2 60.0 7_466 3_456
Ga4 Pd3 Ga2 122.06(3) 3_455 8_556
Ga4 Pd3 Ga2 90.0 2_455 8_556
Ga4 Pd3 Ga2 122.06(3) 7_566 8_556
Ga4 Pd3 Ga2 57.94(3) 1_455 8_556
Ga4 Pd3 Ga2 57.94(3) 9_566 8_556
Ga4 Pd3 Ga2 90.000(1) 8_566 8_556
Ga2 Pd3 Ga2 60.0 . 8_556
Ga2 Pd3 Ga2 120.0 9_565 8_556
Ga2 Pd3 Ga2 180.0 2_465 8_556
Ga2 Pd3 Ga2 120.000(1) 7_466 8_556
Ga2 Pd3 Ga2 60.0 3_456 8_556
Pd1 Ga2 Pd1 130.69(6) 2_455 .
Pd1 Ga2 Ga4 58.86(3) 2_455 2_455
Pd1 Ga2 Ga4 159.71(3) . 2_455
Pd1 Ga2 Ga4 159.71(3) 2_455 9_566
Pd1 Ga2 Ga4 58.86(3) . 9_566
Ga4 Ga2 Ga4 119.42(8) 2_455 9_566
Pd1 Ga2 Ga1 102.72(5) 2_455 3
Pd1 Ga2 Ga1 57.09(3) . 3
Ga4 Ga2 Ga1 105.42(3) 2_455 3
Ga4 Ga2 Ga1 97.16(4) 9_566 3
Pd1 Ga2 Ga1 57.09(3) 2_455 7_556
Pd1 Ga2 Ga1 102.72(5) . 7_556
Ga4 Ga2 Ga1 97.16(4) 2_455 7_556
Ga4 Ga2 Ga1 105.42(3) 9_566 7_556
Ga1 Ga2 Ga1 134.44(6) 3 7_556
Pd1 Ga2 Ga2 102.697(17) 2_455 9_565
Pd1 Ga2 Ga2 101.39(2) . 9_565
Ga4 Ga2 Ga2 58.49(2) 2_455 9_565
Ga4 Ga2 Ga2 91.04(3) 9_566 9_565
Ga1 Ga2 Ga2 58.51(3) 3 9_565
Ga1 Ga2 Ga2 155.44(3) 7_556 9_565
Pd1 Ga2 Pd3 114.66(3) 2_455 .
Pd1 Ga2 Pd3 114.66(3) . .
Ga4 Ga2 Pd3 59.71(4) 2_455 .
Ga4 Ga2 Pd3 59.71(4) 9_566 .
Ga1 Ga2 Pd3 112.78(3) 3 .
Ga1 Ga2 Pd3 112.78(3) 7_556 .
Ga2 Ga2 Pd3 60.0 9_565 .
Pd1 Ga2 Ga2 101.39(2) 2_455 8_556
Pd1 Ga2 Ga2 102.696(17) . 8_556
Ga4 Ga2 Ga2 91.04(3) 2_455 8_556
Ga4 Ga2 Ga2 58.49(2) 9_566 8_556
Ga1 Ga2 Ga2 155.43(3) 3 8_556
Ga1 Ga2 Ga2 58.51(3) 7_556 8_556
Ga2 Ga2 Ga2 120.0 9_565 8_556
Pd3 Ga2 Ga2 60.0 . 8_556
Pd1 Ga2 Ce1 65.34(3) 2_455 .
Pd1 Ga2 Ce1 65.34(3) . .
Ga4 Ga2 Ce1 120.29(4) 2_455 .
Ga4 Ga2 Ce1 120.29(4) 9_566 .
Ga1 Ga2 Ce1 67.22(3) 3 .
Ga1 Ga2 Ce1 67.22(3) 7_556 .
Ga2 Ga2 Ce1 120.0 9_565 .
Pd3 Ga2 Ce1 180.0 . .
Ga2 Ga2 Ce1 120.0 8_556 .
Pd2 Ga3 Pd1 129.19(3) . 8_655
Pd2 Ga3 Pd1 129.19(3) . 1_554
Pd1 Ga3 Pd1 101.41(5) 8_655 1_554
Pd2 Ga3 Ga1 60.51(5) . 2
Pd1 Ga3 Ga1 105.92(5) 8_655 2
Pd1 Ga3 Ga1 105.92(5) 1_554 2
Pd2 Ga3 Ga3 93.95(4) . 9
Pd1 Ga3 Ga3 120.09(8) 8_655 9
Pd1 Ga3 Ga3 58.31(3) 1_554 9
Ga1 Ga3 Ga3 133.04(6) 2 9
Pd2 Ga3 Ga3 93.95(4) . 8
Pd1 Ga3 Ga3 58.31(3) 8_655 8
Pd1 Ga3 Ga3 120.09(8) 1_554 8
Ga1 Ga3 Ga3 133.04(6) 2 8
Ga3 Ga3 Ga3 83.10(8) 9 8
Pd2 Ga3 Ce1 68.99(3) . 3
Pd1 Ga3 Ce1 153.54(5) 8_655 3
Pd1 Ga3 Ce1 62.076(15) 1_554 3
Ga1 Ga3 Ce1 63.56(3) 2 3
Ga3 Ga3 Ce1 70.75(4) 9 3
Ga3 Ga3 Ce1 147.04(3) 8 3
Pd2 Ga3 Ce1 68.99(3) . 2
Pd1 Ga3 Ce1 62.076(16) 8_655 2
Pd1 Ga3 Ce1 153.54(5) 1_554 2
Ga1 Ga3 Ce1 63.56(3) 2 2
Ga3 Ga3 Ce1 147.04(3) 9 2
Ga3 Ga3 Ce1 70.75(4) 8 2
Ce1 Ga3 Ce1 123.53(5) 3 2
Pd1 Ga4 Pd1 98.47(6) . 8_656
Pd1 Ga4 Ga1 58.20(3) . 3
Pd1 Ga4 Ga1 131.15(6) 8_656 3
Pd1 Ga4 Ga1 131.15(6) . .
Pd1 Ga4 Ga1 58.21(3) 8_656 .
Ga1 Ga4 Ga1 102.93(8) 3 .
Pd1 Ga4 Ga2 59.90(3) . 3_556
Pd1 Ga4 Ga2 106.86(5) 8_656 3_556
Ga1 Ga4 Ga2 97.02(4) 3 3_556
Ga1 Ga4 Ga2 160.01(5) . 3_556
Pd1 Ga4 Ga2 106.86(5) . 8_656
Pd1 Ga4 Ga2 59.90(3) 8_656 8_656
Ga1 Ga4 Ga2 160.01(5) 3 8_656
Ga1 Ga4 Ga2 97.02(4) . 8_656
Ga2 Ga4 Ga2 63.01(4) 3_556 8_656
Pd1 Ga4 Pd3 118.05(4) . 1_655
Pd1 Ga4 Pd3 118.05(4) 8_656 1_655
Ga1 Ga4 Pd3 110.75(5) 3 1_655
Ga1 Ga4 Pd3 110.75(5) . 1_655
Ga2 Ga4 Pd3 62.35(4) 3_556 1_655
Ga2 Ga4 Pd3 62.35(4) 8_656 1_655
Pd1 Ga4 Ga4 100.42(3) . 3
Pd1 Ga4 Ga4 159.77(3) 8_656 3
Ga1 Ga4 Ga4 56.37(4) 3 3
Ga1 Ga4 Ga4 103.20(4) . 3
Ga2 Ga4 Ga4 88.96(3) 3_556 3
Ga2 Ga4 Ga4 120.29(4) 8_656 3
Pd3 Ga4 Ga4 57.94(3) 1_655 3
Pd1 Ga4 Ga4 159.77(3) . 2
Pd1 Ga4 Ga4 100.42(3) 8_656 2
Ga1 Ga4 Ga4 103.20(4) 3 2
Ga1 Ga4 Ga4 56.37(4) . 2
Ga2 Ga4 Ga4 120.29(4) 3_556 2
Ga2 Ga4 Ga4 88.96(3) 8_656 2
Pd3 Ga4 Ga4 57.94(3) 1_655 2
Ga4 Ga4 Ga4 60.0 3 2
Pd1 Ga4 Ce1 64.45(3) . .
Pd1 Ga4 Ce1 64.45(3) 8_656 .
Ga1 Ga4 Ce1 66.71(4) 3 .
Ga1 Ga4 Ce1 66.71(4) . .
Ga2 Ga4 Ce1 121.43(5) 3_556 .
Ga2 Ga4 Ce1 121.43(5) 8_656 .
Pd3 Ga4 Ce1 175.27(6) 1_655 .
Ga4 Ga4 Ce1 118.20(2) 3 .
Ga4 Ga4 Ce1 118.20(2) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd2 Ga3 2.5993(17) .
Pd2 Ga3 2.5994(17) 3
Pd2 Ga3 2.5994(17) 2
Pd2 Ga1 2.6735(16) 2
Pd2 Ga1 2.6735(16) .
Pd2 Ga1 2.6735(16) 3
Pd2 Ce1 3.4662(7) 3
Pd2 Ce1 3.4662(7) 2
Pd2 Ce1 3.4662(7) .
Pd1 Ga1 2.5960(12) 3
Pd1 Ga1 2.5961(12) 9_566
Pd1 Ga3 2.6118(13) 9_556
Pd1 Ga3 2.6118(13) 1_556
Pd1 Ga4 2.6686(11) 9_566
Pd1 Ga4 2.6686(11) .
Pd1 Ga2 2.6974(9) 3_556
Pd1 Ga2 2.6974(9) .
Pd1 Ce1 3.1773(6) .
Pd1 Ce1 3.1773(6) 3_556
Ce1 Ga2 3.1465(15) 7_556
Ce1 Ga2 3.1465(15) .
Ce1 Pd1 3.1772(6) 2_455
Ce1 Pd1 3.1772(6) 7_556
Ce1 Pd1 3.1773(6) 8_656
Ce1 Ga4 3.2243(16) 7_556
Ce1 Ga4 3.2243(16) .
Ce1 Ga1 3.2735(8) 3
Ce1 Ga1 3.2735(8) .
Ce1 Ga1 3.2735(8) 7_556
Ce1 Ga1 3.2735(8) 9_556
Ga1 Pd1 2.5961(12) 2
Ga1 Pd1 2.5961(12) 8_656
Ga1 Ga4 2.6690(15) 2
Ga1 Ga4 2.6690(15) .
Ga1 Ga3 2.704(2) 3
Ga1 Ga2 2.7347(14) 2
Ga1 Ga2 2.7347(14) 7_556
Ga1 Ce1 3.2735(8) 2
Pd3 Ga4 2.7847(16) 3_455
Pd3 Ga4 2.7847(16) 2_455
Pd3 Ga4 2.7847(16) 7_566
Pd3 Ga4 2.7847(16) 1_455
Pd3 Ga4 2.7847(16) 9_566
Pd3 Ga4 2.7847(16) 8_566
Pd3 Ga2 2.8567(15) .
Pd3 Ga2 2.8567(15) 9_565
Pd3 Ga2 2.8567(15) 2_465
Pd3 Ga2 2.8567(15) 7_466
Pd3 Ga2 2.8567(15) 3_456
Pd3 Ga2 2.8567(15) 8_556
Ga2 Pd1 2.6974(9) 2_455
Ga2 Ga4 2.7332(15) 2_455
Ga2 Ga4 2.7332(15) 9_566
Ga2 Ga1 2.7347(14) 3
Ga2 Ga1 2.7347(14) 7_556
Ga2 Ga2 2.8567(15) 9_565
Ga2 Ga2 2.8567(15) 8_556
Ga3 Pd1 2.6118(13) 8_655
Ga3 Pd1 2.6118(13) 1_554
Ga3 Ga1 2.704(2) 2
Ga3 Ga3 2.744(2) 9
Ga3 Ga3 2.744(2) 8
Ga3 Ce1 3.4070(8) 3
Ga3 Ce1 3.4070(8) 2
Ga4 Pd1 2.6686(11) 8_656
Ga4 Ga1 2.6690(15) 3
Ga4 Ga2 2.7332(15) 3_556
Ga4 Ga2 2.7332(15) 8_656
Ga4 Pd3 2.7847(16) 1_655
Ga4 Ga4 2.956(3) 3
Ga4 Ga4 2.956(3) 2
