#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:52:50 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179267 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/87/4318704.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_4318704
loop_
_publ_author_name
'S. E. Latturner'
'M. G. Kanatzidis'
_publ_section_title
;
 Gd1.33Pt3(Al,Si)8 and Gd0.67Pt2(Al,Si)5: Two Structures Containing a
 Disordered Gd/Al Layer Grown in Liquid Aluminum
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5479
_journal_page_last               5486
_journal_paper_doi               10.1021/ic025623n
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'Al8 Gd Pt3'
_chemical_formula_weight         931.38
_chemical_name_systematic
;

  ?

;
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   4.3359(6)
_cell_length_b                   4.3359(6)
_cell_length_c                   38.702(8)
_cell_measurement_temperature    293(2)
_cell_volume                     630.12(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0246
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            2162
_diffrn_reflns_theta_full        27.95
_diffrn_reflns_theta_max         27.95
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    38.819
_exptl_crystal_density_diffrn    7.987
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             778
_refine_diff_density_max         2.374
_refine_diff_density_min         -1.756
_refine_diff_density_rms         0.434
_refine_ls_extinction_coef       0.00118(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     27
_refine_ls_number_reflns         239
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0245
_refine_ls_R_factor_gt           0.0208
_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)+(0.0297P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0476
_refine_ls_wR_factor_ref         0.0487
_reflns_number_gt                212
_reflns_number_total             239
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025623n_1.cif
_cod_data_source_block           2sl83cx
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               4318704
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
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
Pt1 Pt 0.0000 0.0000 0.0000 0.0054(3) Uani 1 12 d S . .
Pt2 Pt 0.0000 0.0000 0.120714(14) 0.0060(2) Uani 1 6 d S . .
Gd3 Gd 0.0000 0.0000 0.26936(3) 0.0059(4) Uani 0.670(4) 6 d SP . .
Al1 Al 0.0000 0.0000 0.44424(12) 0.0074(10) Uani 1 6 d S . .
Al2 Al 0.0000 0.0000 0.35072(12) 0.0081(9) Uani 1 6 d S . .
Al3 Al 0.0000 0.0000 0.18650(12) 0.0073(9) Uani 1 6 d S . .
Al4 Al 0.5401(10) 0.4599(10) 0.39474(19) 0.010(3) Uani 0.354(13) 2 d SP . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
_geom_angle_publ_flag
Al4 Pt1 Al4 180.00(13) 25 13_444 ?
Al4 Pt1 Al4 37.5(3) 25 27_445 ?
Al4 Pt1 Al4 142.5(3) 13_444 27_445 ?
Al4 Pt1 Al4 142.5(3) 25 15_554 ?
Al4 Pt1 Al4 37.5(3) 13_444 15_554 ?
Al4 Pt1 Al4 180.0(4) 27_445 15_554 ?
Al4 Pt1 Al4 37.5(3) 25 26_455 ?
Al4 Pt1 Al4 142.5(3) 13_444 26_455 ?
Al4 Pt1 Al4 37.5(3) 27_445 26_455 ?
Al4 Pt1 Al4 142.5(3) 15_554 26_455 ?
Al4 Pt1 Al4 142.5(3) 25 14_544 ?
Al4 Pt1 Al4 37.5(3) 13_444 14_544 ?
Al4 Pt1 Al4 142.5(3) 27_445 14_544 ?
Al4 Pt1 Al4 37.5(3) 15_554 14_544 ?
Al4 Pt1 Al4 180.0(4) 26_455 14_544 ?
Al4 Pt1 Al2 65.15(11) 25 25_445 ?
Al4 Pt1 Al2 114.85(11) 13_444 25_445 ?
Al4 Pt1 Al2 65.15(11) 27_445 25_445 ?
Al4 Pt1 Al2 114.85(11) 15_554 25_445 ?
Al4 Pt1 Al2 96.76(19) 26_455 25_445 ?
Al4 Pt1 Al2 83.24(19) 14_544 25_445 ?
Al4 Pt1 Al2 114.85(11) 25 13_554 ?
Al4 Pt1 Al2 65.15(11) 13_444 13_554 ?
Al4 Pt1 Al2 114.85(11) 27_445 13_554 ?
Al4 Pt1 Al2 65.15(11) 15_554 13_554 ?
Al4 Pt1 Al2 83.24(19) 26_455 13_554 ?
Al4 Pt1 Al2 96.76(19) 14_544 13_554 ?
Al2 Pt1 Al2 180.0(2) 25_445 13_554 ?
Al4 Pt1 Al2 65.15(11) 25 25 ?
Al4 Pt1 Al2 114.85(11) 13_444 25 ?
Al4 Pt1 Al2 96.76(19) 27_445 25 ?
Al4 Pt1 Al2 83.24(19) 15_554 25 ?
Al4 Pt1 Al2 65.15(11) 26_455 25 ?
Al4 Pt1 Al2 114.85(11) 14_544 25 ?
Al2 Pt1 Al2 113.52(8) 25_445 25 ?
Al2 Pt1 Al2 66.48(8) 13_554 25 ?
Al4 Pt1 Al2 114.85(11) 25 13_444 ?
Al4 Pt1 Al2 65.15(11) 13_444 13_444 ?
Al4 Pt1 Al2 83.24(19) 27_445 13_444 ?
Al4 Pt1 Al2 96.76(19) 15_554 13_444 ?
Al4 Pt1 Al2 114.85(11) 26_455 13_444 ?
Al4 Pt1 Al2 65.15(11) 14_544 13_444 ?
Al2 Pt1 Al2 66.48(8) 25_445 13_444 ?
Al2 Pt1 Al2 113.52(8) 13_554 13_444 ?
Al2 Pt1 Al2 180.0(2) 25 13_444 ?
Al4 Pt1 Al2 83.24(19) 25 13_544 ?
Al4 Pt1 Al2 96.76(19) 13_444 13_544 ?
Al4 Pt1 Al2 114.85(11) 27_445 13_544 ?
Al4 Pt1 Al2 65.15(11) 15_554 13_544 ?
Al4 Pt1 Al2 114.85(11) 26_455 13_544 ?
Al4 Pt1 Al2 65.15(11) 14_544 13_544 ?
Al2 Pt1 Al2 66.49(8) 25_445 13_544 ?
Al2 Pt1 Al2 113.51(8) 13_554 13_544 ?
Al2 Pt1 Al2 66.49(8) 25 13_544 ?
Al2 Pt1 Al2 113.51(8) 13_444 13_544 ?
Al4 Pt1 Al2 96.76(19) 25 25_455 ?
Al4 Pt1 Al2 83.24(19) 13_444 25_455 ?
Al4 Pt1 Al2 65.15(11) 27_445 25_455 ?
Al4 Pt1 Al2 114.85(11) 15_554 25_455 ?
Al4 Pt1 Al2 65.15(11) 26_455 25_455 ?
Al4 Pt1 Al2 114.85(11) 14_544 25_455 ?
Al2 Pt1 Al2 113.51(8) 25_445 25_455 ?
Al2 Pt1 Al2 66.49(8) 13_554 25_455 ?
Al2 Pt1 Al2 113.51(8) 25 25_455 ?
Al2 Pt1 Al2 66.49(8) 13_444 25_455 ?
Al2 Pt1 Al2 180.0(2) 13_544 25_455 ?
Al4 Pt2 Al4 38.7(3) 13_444 14_544 ?
Al4 Pt2 Al4 38.7(3) 13_444 15_554 ?
Al4 Pt2 Al4 38.7(3) 14_544 15_554 ?
Al4 Pt2 Al1 70.88(12) 13_444 13_444 ?
Al4 Pt2 Al1 70.88(12) 14_544 13_444 ?
Al4 Pt2 Al1 103.9(2) 15_554 13_444 ?
Al4 Pt2 Al1 70.88(12) 13_444 13_554 ?
Al4 Pt2 Al1 103.9(2) 14_544 13_554 ?
Al4 Pt2 Al1 70.88(12) 15_554 13_554 ?
Al1 Pt2 Al1 117.80(5) 13_444 13_554 ?
Al4 Pt2 Al1 103.9(2) 13_444 13_544 ?
Al4 Pt2 Al1 70.88(12) 14_544 13_544 ?
Al4 Pt2 Al1 70.88(12) 15_554 13_544 ?
Al1 Pt2 Al1 117.79(5) 13_444 13_544 ?
Al1 Pt2 Al1 117.79(5) 13_554 13_544 ?
Al4 Pt2 Al3 157.51(17) 13_444 . ?
Al4 Pt2 Al3 157.50(17) 14_544 . ?
Al4 Pt2 Al3 157.50(17) 15_554 . ?
Al1 Pt2 Al3 98.62(10) 13_444 . ?
Al1 Pt2 Al3 98.62(10) 13_554 . ?
Al1 Pt2 Al3 98.62(10) 13_544 . ?
Al4 Pt2 Al3 121.56(10) 13_444 25 ?
Al4 Pt2 Al3 121.56(10) 14_544 25 ?
Al4 Pt2 Al3 89.5(2) 15_554 25 ?
Al1 Pt2 Al3 166.63(14) 13_444 25 ?
Al1 Pt2 Al3 66.28(6) 13_554 25 ?
Al1 Pt2 Al3 66.28(6) 13_544 25 ?
Al3 Pt2 Al3 68.01(9) . 25 ?
Al4 Pt2 Al3 121.56(10) 13_444 25_445 ?
Al4 Pt2 Al3 89.5(2) 14_544 25_445 ?
Al4 Pt2 Al3 121.56(10) 15_554 25_445 ?
Al1 Pt2 Al3 66.28(6) 13_444 25_445 ?
Al1 Pt2 Al3 166.63(14) 13_554 25_445 ?
Al1 Pt2 Al3 66.28(6) 13_544 25_445 ?
Al3 Pt2 Al3 68.01(9) . 25_445 ?
Al3 Pt2 Al3 106.84(10) 25 25_445 ?
Al4 Pt2 Al3 89.5(2) 13_444 25_455 ?
Al4 Pt2 Al3 121.56(10) 14_544 25_455 ?
Al4 Pt2 Al3 121.56(10) 15_554 25_455 ?
Al1 Pt2 Al3 66.28(6) 13_444 25_455 ?
Al1 Pt2 Al3 66.28(6) 13_554 25_455 ?
Al1 Pt2 Al3 166.63(14) 13_544 25_455 ?
Al3 Pt2 Al3 68.01(9) . 25_455 ?
Al3 Pt2 Al3 106.83(10) 25 25_455 ?
Al3 Pt2 Al3 106.83(10) 25_445 25_455 ?
Al4 Pt2 Gd3 62.26(12) 13_444 25_445 ?
Al4 Pt2 Gd3 26.25(17) 14_544 25_445 ?
Al4 Pt2 Gd3 62.26(12) 15_554 25_445 ?
Al1 Pt2 Gd3 61.94(7) 13_444 25_445 ?
Al1 Pt2 Gd3 130.12(10) 13_554 25_445 ?
Al1 Pt2 Gd3 61.94(7) 13_544 25_445 ?
Al3 Pt2 Gd3 131.259(16) . 25_445 ?
Al3 Pt2 Gd3 126.55(5) 25 25_445 ?
Al3 Pt2 Gd3 63.25(9) 25_445 25_445 ?
Al3 Pt2 Gd3 126.55(5) 25_455 25_445 ?
Al4 Pt2 Gd3 62.26(12) 13_444 25 ?
Al4 Pt2 Gd3 62.26(12) 14_544 25 ?
Al4 Pt2 Gd3 26.25(17) 15_554 25 ?
Al1 Pt2 Gd3 130.12(10) 13_444 25 ?
Al1 Pt2 Gd3 61.94(7) 13_554 25 ?
Al1 Pt2 Gd3 61.94(7) 13_544 25 ?
Al3 Pt2 Gd3 131.259(16) . 25 ?
Al3 Pt2 Gd3 63.25(9) 25 25 ?
Al3 Pt2 Gd3 126.55(5) 25_445 25 ?
Al3 Pt2 Gd3 126.55(5) 25_455 25 ?
Gd3 Pt2 Gd3 81.24(2) 25_445 25 ?
Al4 Gd3 Al4 119.60(6) 31 33_545 ?
Al4 Gd3 Al4 119.60(6) 31 32_445 ?
Al4 Gd3 Al4 119.60(6) 33_545 32_445 ?
Al4 Gd3 Al2 63.76(17) 31 31 ?
Al4 Gd3 Al2 63.76(17) 33_545 31 ?
Al4 Gd3 Al2 140.6(3) 32_445 31 ?
Al4 Gd3 Al2 63.76(17) 31 31_445 ?
Al4 Gd3 Al2 140.6(3) 33_545 31_445 ?
Al4 Gd3 Al2 63.76(17) 32_445 31_445 ?
Al2 Gd3 Al2 89.30(10) 31 31_445 ?
Al4 Gd3 Al2 140.6(3) 31 31_545 ?
Al4 Gd3 Al2 63.76(17) 33_545 31_545 ?
Al4 Gd3 Al2 63.76(17) 32_445 31_545 ?
Al2 Gd3 Al2 89.30(10) 31 31_545 ?
Al2 Gd3 Al2 89.30(10) 31_445 31_545 ?
Al4 Gd3 Al4 15.54(10) 31 32_455 ?
Al4 Gd3 Al4 104.39(11) 33_545 32_455 ?
Al4 Gd3 Al4 135.14(11) 32_445 32_455 ?
Al2 Gd3 Al4 53.36(12) 31 32_455 ?
Al2 Gd3 Al4 77.14(12) 31_445 32_455 ?
Al2 Gd3 Al4 139.73(15) 31_545 32_455 ?
Al4 Gd3 Al4 15.54(10) 31 33_445 ?
Al4 Gd3 Al4 135.14(11) 33_545 33_445 ?
Al4 Gd3 Al4 104.39(11) 32_445 33_445 ?
Al2 Gd3 Al4 77.14(12) 31 33_445 ?
Al2 Gd3 Al4 53.36(12) 31_445 33_445 ?
Al2 Gd3 Al4 139.73(15) 31_545 33_445 ?
Al4 Gd3 Al4 30.9(2) 32_455 33_445 ?
Al4 Gd3 Al4 104.39(10) 31 33_435 ?
Al4 Gd3 Al4 135.13(11) 33_545 33_435 ?
Al4 Gd3 Al4 15.54(10) 32_445 33_435 ?
Al2 Gd3 Al4 139.73(15) 31 33_435 ?
Al2 Gd3 Al4 53.36(12) 31_445 33_435 ?
Al2 Gd3 Al4 77.14(12) 31_545 33_435 ?
Al4 Gd3 Al4 119.898(16) 32_455 33_435 ?
Al4 Gd3 Al4 89.0(2) 33_445 33_435 ?
Al4 Gd3 Al4 104.39(10) 31 32 ?
Al4 Gd3 Al4 15.54(10) 33_545 32 ?
Al4 Gd3 Al4 135.13(11) 32_445 32 ?
Al2 Gd3 Al4 53.36(12) 31 32 ?
Al2 Gd3 Al4 139.73(15) 31_445 32 ?
Al2 Gd3 Al4 77.14(12) 31_545 32 ?
Al4 Gd3 Al4 89.0(2) 32_455 32 ?
Al4 Gd3 Al4 119.898(17) 33_445 32 ?
Al4 Gd3 Al4 150.7(2) 33_435 32 ?
Al4 Gd3 Al4 135.14(11) 31 31_545 ?
Al4 Gd3 Al4 104.39(10) 33_545 31_545 ?
Al4 Gd3 Al4 15.54(10) 32_445 31_545 ?
Al2 Gd3 Al4 139.73(15) 31 31_545 ?
Al2 Gd3 Al4 77.14(12) 31_445 31_545 ?
Al2 Gd3 Al4 53.36(12) 31_545 31_545 ?
Al4 Gd3 Al4 150.7(2) 32_455 31_545 ?
Al4 Gd3 Al4 119.898(16) 33_445 31_545 ?
Al4 Gd3 Al4 30.88(19) 33_435 31_545 ?
Al4 Gd3 Al4 119.897(16) 32 31_545 ?
Al4 Gd3 Al4 135.14(11) 31 31_655 ?
Al4 Gd3 Al4 15.54(10) 33_545 31_655 ?
Al4 Gd3 Al4 104.39(10) 32_445 31_655 ?
Al2 Gd3 Al4 77.14(12) 31 31_655 ?
Al2 Gd3 Al4 139.73(15) 31_445 31_655 ?
Al2 Gd3 Al4 53.36(12) 31_545 31_655 ?
Al4 Gd3 Al4 119.898(17) 32_455 31_655 ?
Al4 Gd3 Al4 150.7(2) 33_445 31_655 ?
Al4 Gd3 Al4 119.897(16) 33_435 31_655 ?
Al4 Gd3 Al4 30.88(19) 32 31_655 ?
Al4 Gd3 Al4 89.04(19) 31_545 31_655 ?
Pt2 Al1 Pt2 117.80(5) 7 7_445 ?
Pt2 Al1 Pt2 117.79(5) 7 7_455 ?
Pt2 Al1 Pt2 117.79(5) 7_445 7_455 ?
Pt2 Al1 Al3 59.67(4) 7 31 ?
Pt2 Al1 Al3 142.3(2) 7_445 31 ?
Pt2 Al1 Al3 59.67(4) 7_455 31 ?
Pt2 Al1 Al3 142.3(2) 7 31_445 ?
Pt2 Al1 Al3 59.67(4) 7_445 31_445 ?
Pt2 Al1 Al3 59.67(4) 7_455 31_445 ?
Al3 Al1 Al3 98.42(15) 31 31_445 ?
Pt2 Al1 Al3 59.67(4) 7 31_545 ?
Pt2 Al1 Al3 59.67(4) 7_445 31_545 ?
Pt2 Al1 Al3 142.3(2) 7_455 31_545 ?
Al3 Al1 Al3 98.42(14) 31 31_545 ?
Al3 Al1 Al3 98.42(15) 31_445 31_545 ?
Pt2 Al1 Al4 133.29(18) 7 1_445 ?
Pt2 Al1 Al4 53.80(13) 7_445 1_445 ?
Pt2 Al1 Al4 101.60(16) 7_455 1_445 ?
Al3 Al1 Al4 158.32(17) 31 1_445 ?
Al3 Al1 Al4 78.51(14) 31_445 1_445 ?
Al3 Al1 Al4 103.26(15) 31_545 1_445 ?
Pt2 Al1 Al4 101.60(16) 7 3 ?
Pt2 Al1 Al4 53.80(13) 7_445 3 ?
Pt2 Al1 Al4 133.29(18) 7_455 3 ?
Al3 Al1 Al4 158.32(18) 31 3 ?
Al3 Al1 Al4 103.26(16) 31_445 3 ?
Al3 Al1 Al4 78.51(14) 31_545 3 ?
Al4 Al1 Al4 32.9(3) 1_445 3 ?
Pt2 Al1 Al4 133.29(18) 7 2 ?
Pt2 Al1 Al4 101.60(16) 7_445 2 ?
Pt2 Al1 Al4 53.80(13) 7_455 2 ?
Al3 Al1 Al4 103.26(15) 31 2 ?
Al3 Al1 Al4 78.51(14) 31_445 2 ?
Al3 Al1 Al4 158.32(17) 31_545 2 ?
Al4 Al1 Al4 55.1(3) 1_445 2 ?
Al4 Al1 Al4 81.3(2) 3 2 ?
Pt2 Al1 Al4 53.80(13) 7 2_655 ?
Pt2 Al1 Al4 101.60(16) 7_445 2_655 ?
Pt2 Al1 Al4 133.29(18) 7_455 2_655 ?
Al3 Al1 Al4 103.26(16) 31 2_655 ?
Al3 Al1 Al4 158.32(18) 31_445 2_655 ?
Al3 Al1 Al4 78.51(14) 31_545 2_655 ?
Al4 Al1 Al4 81.3(2) 1_445 2_655 ?
Al4 Al1 Al4 55.1(3) 3 2_655 ?
Al4 Al1 Al4 96.4(3) 2 2_655 ?
Pt2 Al1 Al4 101.60(17) 7 3_565 ?
Pt2 Al1 Al4 133.29(18) 7_445 3_565 ?
Pt2 Al1 Al4 53.80(13) 7_455 3_565 ?
Al3 Al1 Al4 78.51(14) 31 3_565 ?
Al3 Al1 Al4 103.26(15) 31_445 3_565 ?
Al3 Al1 Al4 158.32(17) 31_545 3_565 ?
Al4 Al1 Al4 81.3(2) 1_445 3_565 ?
Al4 Al1 Al4 96.4(3) 3 3_565 ?
Al4 Al1 Al4 32.9(3) 2 3_565 ?
Al4 Al1 Al4 81.3(2) 2_655 3_565 ?
Pt2 Al1 Al4 53.80(13) 7 . ?
Pt2 Al1 Al4 133.29(18) 7_445 . ?
Pt2 Al1 Al4 101.60(16) 7_455 . ?
Al3 Al1 Al4 78.51(14) 31 . ?
Al3 Al1 Al4 158.32(17) 31_445 . ?
Al3 Al1 Al4 103.26(15) 31_545 . ?
Al4 Al1 Al4 96.4(3) 1_445 . ?
Al4 Al1 Al4 81.3(2) 3 . ?
Al4 Al1 Al4 81.3(2) 2 . ?
Al4 Al1 Al4 32.9(3) 2_655 . ?
Al4 Al1 Al4 55.1(3) 3_565 . ?
Pt1 Al2 Pt1 113.52(8) 7_445 7 ?
Pt1 Al2 Pt1 113.51(8) 7_445 7_455 ?
Pt1 Al2 Pt1 113.51(8) 7 7_455 ?
Pt1 Al2 Al4 139.53(17) 7_445 . ?
Pt1 Al2 Al4 56.86(14) 7 . ?
Pt1 Al2 Al4 105.32(16) 7_455 . ?
Pt1 Al2 Al4 105.32(16) 7_445 2_655 ?
Pt1 Al2 Al4 56.86(14) 7 2_655 ?
Pt1 Al2 Al4 139.53(17) 7_455 2_655 ?
Al4 Al2 Al4 34.5(3) . 2_655 ?
Pt1 Al2 Al4 139.53(18) 7_445 3_565 ?
Pt1 Al2 Al4 105.32(16) 7 3_565 ?
Pt1 Al2 Al4 56.86(14) 7_455 3_565 ?
Al4 Al2 Al4 58.0(3) . 3_565 ?
Al4 Al2 Al4 86.2(2) 2_655 3_565 ?
Pt1 Al2 Al4 56.86(14) 7_445 1_445 ?
Pt1 Al2 Al4 139.53(17) 7 1_445 ?
Pt1 Al2 Al4 105.32(16) 7_455 1_445 ?
Al4 Al2 Al4 102.8(3) . 1_445 ?
Al4 Al2 Al4 86.2(2) 2_655 1_445 ?
Al4 Al2 Al4 86.2(2) 3_565 1_445 ?
Pt1 Al2 Al4 56.86(14) 7_445 3 ?
Pt1 Al2 Al4 105.32(16) 7 3 ?
Pt1 Al2 Al4 139.53(17) 7_455 3 ?
Al4 Al2 Al4 86.2(2) . 3 ?
Al4 Al2 Al4 58.0(3) 2_655 3 ?
Al4 Al2 Al4 102.8(3) 3_565 3 ?
Al4 Al2 Al4 34.5(3) 1_445 3 ?
Pt1 Al2 Al4 105.32(16) 7_445 2 ?
Pt1 Al2 Al4 139.53(18) 7 2 ?
Pt1 Al2 Al4 56.86(14) 7_455 2 ?
Al4 Al2 Al4 86.2(2) . 2 ?
Al4 Al2 Al4 102.8(3) 2_655 2 ?
Al4 Al2 Al4 34.5(3) 3_565 2 ?
Al4 Al2 Al4 58.0(3) 1_445 2 ?
Al4 Al2 Al4 86.2(2) 3 2 ?
Pt1 Al2 Al2 56.76(4) 7_445 31_445 ?
Pt1 Al2 Al2 136.7(3) 7 31_445 ?
Pt1 Al2 Al2 56.76(4) 7_455 31_445 ?
Al4 Al2 Al2 159.20(19) . 31_445 ?
Al4 Al2 Al2 159.2(2) 2_655 31_445 ?
Al4 Al2 Al2 101.26(17) 3_565 31_445 ?
Al4 Al2 Al2 75.07(15) 1_445 31_445 ?
Al4 Al2 Al2 101.26(17) 3 31_445 ?
Al4 Al2 Al2 75.07(15) 2 31_445 ?
Pt1 Al2 Al2 136.7(3) 7_445 31 ?
Pt1 Al2 Al2 56.76(4) 7 31 ?
Pt1 Al2 Al2 56.76(4) 7_455 31 ?
Al4 Al2 Al2 75.07(15) . 31 ?
Al4 Al2 Al2 101.26(17) 2_655 31 ?
Al4 Al2 Al2 75.07(15) 3_565 31 ?
Al4 Al2 Al2 159.2(2) 1_445 31 ?
Al4 Al2 Al2 159.2(2) 3 31 ?
Al4 Al2 Al2 101.26(17) 2 31 ?
Al2 Al2 Al2 99.4(2) 31_445 31 ?
Pt1 Al2 Al2 56.76(4) 7_445 31_545 ?
Pt1 Al2 Al2 56.76(4) 7 31_545 ?
Pt1 Al2 Al2 136.7(3) 7_455 31_545 ?
Al4 Al2 Al2 101.26(17) . 31_545 ?
Al4 Al2 Al2 75.07(15) 2_655 31_545 ?
Al4 Al2 Al2 159.2(2) 3_565 31_545 ?
Al4 Al2 Al2 101.26(17) 1_445 31_545 ?
Al4 Al2 Al2 75.07(15) 3 31_545 ?
Al4 Al2 Al2 159.2(2) 2 31_545 ?
Al2 Al2 Al2 99.4(2) 31_445 31_545 ?
Al2 Al2 Al2 99.4(2) 31 31_545 ?
Pt2 Al3 Pt2 111.99(9) . 25 ?
Pt2 Al3 Pt2 111.99(9) . 25_445 ?
Pt2 Al3 Pt2 106.84(10) 25 25_445 ?
Pt2 Al3 Pt2 111.99(9) . 25_455 ?
Pt2 Al3 Pt2 106.83(10) 25 25_455 ?
Pt2 Al3 Pt2 106.83(10) 25_445 25_455 ?
Pt2 Al3 Al1 119.05(11) . 31 ?
Pt2 Al3 Al1 54.05(4) 25 31 ?
Pt2 Al3 Al1 128.96(19) 25_445 31 ?
Pt2 Al3 Al1 54.05(4) 25_455 31 ?
Pt2 Al3 Al1 119.05(11) . 31_445 ?
Pt2 Al3 Al1 128.96(19) 25 31_445 ?
Pt2 Al3 Al1 54.05(4) 25_445 31_445 ?
Pt2 Al3 Al1 54.05(4) 25_455 31_445 ?
Al1 Al3 Al1 98.42(15) 31 31_445 ?
Pt2 Al3 Al1 119.05(11) . 31_545 ?
Pt2 Al3 Al1 54.05(4) 25 31_545 ?
Pt2 Al3 Al1 54.05(4) 25_445 31_545 ?
Pt2 Al3 Al1 128.96(19) 25_455 31_545 ?
Al1 Al3 Al1 98.42(14) 31 31_545 ?
Al1 Al3 Al1 98.42(15) 31_445 31_545 ?
Pt2 Al3 Al3 58.49(15) . 25_445 ?
Pt2 Al3 Al3 126.23(2) 25 25_445 ?
Pt2 Al3 Al3 53.51(6) 25_445 25_445 ?
Pt2 Al3 Al3 126.23(2) 25_455 25_445 ?
Al1 Al3 Al3 177.5(2) 31 25_445 ?
Al1 Al3 Al3 83.17(7) 31_445 25_445 ?
Al1 Al3 Al3 83.17(7) 31_545 25_445 ?
Pt2 Al3 Al3 58.49(15) . 25 ?
Pt2 Al3 Al3 53.51(6) 25 25 ?
Pt2 Al3 Al3 126.23(2) 25_445 25 ?
Pt2 Al3 Al3 126.23(2) 25_455 25 ?
Al1 Al3 Al3 83.17(7) 31 25 ?
Al1 Al3 Al3 177.5(2) 31_445 25 ?
Al1 Al3 Al3 83.17(7) 31_545 25 ?
Al3 Al3 Al3 95.2(2) 25_445 25 ?
Pt2 Al3 Al3 58.49(15) . 25_455 ?
Pt2 Al3 Al3 126.23(2) 25 25_455 ?
Pt2 Al3 Al3 126.23(2) 25_445 25_455 ?
Pt2 Al3 Al3 53.51(6) 25_455 25_455 ?
Al1 Al3 Al3 83.17(7) 31 25_455 ?
Al1 Al3 Al3 83.17(7) 31_445 25_455 ?
Al1 Al3 Al3 177.5(2) 31_545 25_455 ?
Al3 Al3 Al3 95.2(2) 25_445 25_455 ?
Al3 Al3 Al3 95.2(2) 25 25_455 ?
Pt2 Al3 Gd3 180.0 . . ?
Pt2 Al3 Gd3 68.01(9) 25 . ?
Pt2 Al3 Gd3 68.01(9) 25_445 . ?
Pt2 Al3 Gd3 68.01(9) 25_455 . ?
Al1 Al3 Gd3 60.95(11) 31 . ?
Al1 Al3 Gd3 60.95(11) 31_445 . ?
Al1 Al3 Gd3 60.95(11) 31_545 . ?
Al3 Al3 Gd3 121.51(15) 25_445 . ?
Al3 Al3 Gd3 121.51(15) 25 . ?
Al3 Al3 Gd3 121.51(15) 25_455 . ?
Gd3 Al4 Al4 149.80(4) 31 2_655 ?
Gd3 Al4 Al4 149.80(4) 31 3_665 ?
Al4 Al4 Al4 60.000(10) 2_655 3_665 ?
Gd3 Al4 Pt2 108.8(4) 31 7 ?
Al4 Al4 Pt2 70.65(15) 2_655 7 ?
Al4 Al4 Pt2 70.65(14) 3_665 7 ?
Gd3 Al4 Pt1 115.5(4) 31 7 ?
Al4 Al4 Pt1 71.24(14) 2_655 7 ?
Al4 Al4 Pt1 71.24(14) 3_665 7 ?
Pt2 Al4 Pt1 135.7(3) 7 7 ?
Gd3 Al4 Al4 30.20(3) 31 3_565 ?
Al4 Al4 Al4 120.000(6) 2_655 3_565 ?
Al4 Al4 Al4 180.0(5) 3_665 3_565 ?
Pt2 Al4 Al4 109.35(15) 7 3_565 ?
Pt1 Al4 Al4 108.76(14) 7 3_565 ?
Gd3 Al4 Al4 30.20(3) 31 2_665 ?
Al4 Al4 Al4 180.0(6) 2_655 2_665 ?
Al4 Al4 Al4 120.000(8) 3_665 2_665 ?
Pt2 Al4 Al4 109.35(15) 7 2_665 ?
Pt1 Al4 Al4 108.76(14) 7 2_665 ?
Al4 Al4 Al4 60.000(7) 3_565 2_665 ?
Gd3 Al4 Al2 86.0(2) 31 . ?
Al4 Al4 Al2 72.73(15) 2_655 . ?
Al4 Al4 Al2 119.00(15) 3_665 . ?
Pt2 Al4 Al2 127.52(14) 7 . ?
Pt1 Al4 Al2 58.00(15) 7 . ?
Al4 Al4 Al2 61.00(16) 3_565 . ?
Al4 Al4 Al2 107.27(14) 2_665 . ?
Gd3 Al4 Al2 86.0(2) 31 1_665 ?
Al4 Al4 Al2 119.00(15) 2_655 1_665 ?
Al4 Al4 Al2 72.73(15) 3_665 1_665 ?
Pt2 Al4 Al2 127.52(14) 7 1_665 ?
Pt1 Al4 Al2 58.00(15) 7 1_665 ?
Al4 Al4 Al2 107.27(14) 3_565 1_665 ?
Al4 Al4 Al2 61.00(16) 2_665 1_665 ?
Al2 Al4 Al2 102.8(3) . 1_665 ?
Gd3 Al4 Al1 81.6(2) 31 1_665 ?
Al4 Al4 Al1 117.53(14) 2_655 1_665 ?
Al4 Al4 Al1 73.56(15) 3_665 1_665 ?
Pt2 Al4 Al1 55.32(14) 7 1_665 ?
Pt1 Al4 Al1 130.54(14) 7 1_665 ?
Al4 Al4 Al1 106.44(14) 3_565 1_665 ?
Al4 Al4 Al1 62.47(15) 2_665 1_665 ?
Al2 Al4 Al1 167.4(3) . 1_665 ?
Al2 Al4 Al1 79.10(11) 1_665 1_665 ?
Gd3 Al4 Al1 81.6(2) 31 . ?
Al4 Al4 Al1 73.56(15) 2_655 . ?
Al4 Al4 Al1 117.53(14) 3_665 . ?
Pt2 Al4 Al1 55.32(14) 7 . ?
Pt1 Al4 Al1 130.54(14) 7 . ?
Al4 Al4 Al1 62.47(15) 3_565 . ?
Al4 Al4 Al1 106.44(14) 2_665 . ?
Al2 Al4 Al1 79.10(11) . . ?
Al2 Al4 Al1 167.4(3) 1_665 . ?
Al1 Al4 Al1 96.4(3) 1_665 . ?
Gd3 Al4 Gd3 135.14(11) 31 31_655 ?
Al4 Al4 Gd3 74.56(9) 2_655 31_655 ?
Al4 Al4 Gd3 14.66(11) 3_665 31_655 ?
Pt2 Al4 Gd3 72.41(16) 7 31_655 ?
Pt1 Al4 Gd3 76.42(17) 7 31_655 ?
Al4 Al4 Gd3 165.34(9) 3_565 31_655 ?
Al4 Al4 Gd3 105.44(10) 2_665 31_655 ?
Al2 Al4 Gd3 130.2(3) . 31_655 ?
Al2 Al4 Gd3 63.19(9) 1_665 31_655 ?
Al1 Al4 Gd3 61.97(8) 1_665 31_655 ?
Al1 Al4 Gd3 125.1(2) . 31_655 ?
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
Pt1 Al4 2.559(8) 25 ?
Pt1 Al4 2.559(8) 13_444 ?
Pt1 Al4 2.559(8) 27_445 ?
Pt1 Al4 2.559(8) 15_554 ?
Pt1 Al4 2.559(8) 26_455 ?
Pt1 Al4 2.559(8) 14_544 ?
Pt1 Al2 2.5921(13) 25_445 ?
Pt1 Al2 2.5921(13) 13_554 ?
Pt1 Al2 2.5921(13) 25 ?
Pt1 Al2 2.5921(13) 13_444 ?
Pt1 Al2 2.5922(13) 13_544 ?
Pt1 Al2 2.5922(13) 25_455 ?
Pt2 Al4 2.485(7) 13_444 ?
Pt2 Al4 2.485(7) 14_544 ?
Pt2 Al4 2.485(7) 15_554 ?
Pt2 Al1 2.5319(8) 13_444 ?
Pt2 Al1 2.5319(8) 13_554 ?
Pt2 Al1 2.5320(8) 13_544 ?
Pt2 Al3 2.546(5) . ?
Pt2 Al3 2.6998(18) 25 ?
Pt2 Al3 2.6998(18) 25_445 ?
Pt2 Al3 2.6998(18) 25_455 ?
Pt2 Gd3 3.3301(8) 25_445 ?
Pt2 Gd3 3.3301(8) 25 ?
Gd3 Al4 1.556(7) 31 ?
Gd3 Al4 1.556(8) 33_545 ?
Gd3 Al4 1.556(8) 32_445 ?
Gd3 Al2 3.085(3) 31 ?
Gd3 Al2 3.085(3) 31_445 ?
Gd3 Al2 3.085(3) 31_545 ?
Gd3 Al4 3.092(5) 32_455 ?
Gd3 Al4 3.092(5) 33_445 ?
Gd3 Al4 3.092(5) 33_435 ?
Gd3 Al4 3.092(5) 32 ?
Gd3 Al4 3.092(5) 31_545 ?
Gd3 Al4 3.092(5) 31_655 ?
Al1 Pt2 2.5319(8) 7 ?
Al1 Pt2 2.5319(8) 7_445 ?
Al1 Pt2 2.5320(8) 7_455 ?
Al1 Al3 2.863(3) 31 ?
Al1 Al3 2.863(3) 31_445 ?
Al1 Al3 2.864(3) 31_545 ?
Al1 Al4 2.909(6) 1_445 ?
Al1 Al4 2.909(6) 3 ?
Al1 Al4 2.909(6) 2 ?
Al1 Al4 2.909(6) 2_655 ?
Al1 Al4 2.909(6) 3_565 ?
Al1 Al4 2.909(6) . ?
Al2 Pt1 2.5921(13) 7_445 ?
Al2 Pt1 2.5921(13) 7 ?
Al2 Pt1 2.5922(13) 7_455 ?
Al2 Al4 2.774(5) . ?
Al2 Al4 2.774(5) 2_655 ?
Al2 Al4 2.774(5) 3_565 ?
Al2 Al4 2.774(5) 1_445 ?
Al2 Al4 2.774(5) 3 ?
Al2 Al4 2.774(5) 2 ?
Al2 Al2 2.842(5) 31_445 ?
Al2 Al2 2.842(5) 31 ?
Al2 Al2 2.842(5) 31_545 ?
Al3 Pt2 2.6998(18) 25 ?
Al3 Pt2 2.6998(18) 25_445 ?
Al3 Pt2 2.6998(18) 25_455 ?
Al3 Al1 2.863(3) 31 ?
Al3 Al1 2.863(3) 31_445 ?
Al3 Al1 2.864(3) 31_545 ?
Al3 Al3 2.936(5) 25_445 ?
Al3 Al3 2.936(5) 25 ?
Al3 Al3 2.936(5) 25_455 ?
Al4 Gd3 1.556(7) 31 ?
Al4 Al4 1.647(13) 2_655 ?
Al4 Al4 1.647(13) 3_665 ?
Al4 Pt2 2.485(7) 7 ?
Al4 Pt1 2.559(8) 7 ?
Al4 Al4 2.689(13) 3_565 ?
Al4 Al4 2.689(13) 2_665 ?
Al4 Al2 2.774(5) 1_665 ?
Al4 Al1 2.909(6) 1_665 ?
Al4 Gd3 3.092(5) 31_655 ?
