#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:52:50 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179267 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/87/4318706.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_4318706
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            'Al5 Gd Pt2'
_chemical_formula_weight         682.33
_chemical_name_systematic
;

  ?

;
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_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            2
_cell_length_a                   4.2907(3)
_cell_length_b                   4.2907(3)
_cell_length_c                   16.3878(17)
_cell_measurement_temperature    293(2)
_cell_volume                     261.28(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.943
_diffrn_measured_fraction_theta_max 0.943
_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  0.0643
_diffrn_reflns_av_sigmaI/netI    0.0215
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            3793
_diffrn_reflns_theta_full        37.38
_diffrn_reflns_theta_max         37.38
_diffrn_reflns_theta_min         11.31
_exptl_absorpt_coefficient_mu    33.315
_exptl_crystal_density_diffrn    8.014
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             285
_refine_diff_density_max         2.186
_refine_diff_density_min         -4.529
_refine_diff_density_rms         0.473
_refine_ls_extinction_coef       0.0105(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.230
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     19
_refine_ls_number_reflns         296
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.230
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0288P)²+1.2818P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0551
_refine_ls_wR_factor_ref         0.0565
_reflns_number_gt                257
_reflns_number_total             296
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025623n_3.cif
_cod_data_source_block           3sl51cc
_cod_database_code               4318706
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'
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 0.3333 0.6667 0.391682(17) 0.00613(15) Uani 1 6 d S . .
Gd2 Gd 0.6667 0.3333 0.2500 0.0064(3) Uani 0.690(6) 12 d SP . .
Al1 Al 0.0000 1.0000 0.36550(17) 0.0070(5) Uani 1 6 d S . .
Al2 Al 0.3333 0.6667 0.54642(18) 0.0072(5) Uani 1 6 d S . .
Al3 Al 0.4614(11) 0.5386(11) 0.2500 0.010(2) Uani 0.373(18) 4 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
Al3 Pt1 Al3 38.4(3) 3_565 2_665 ?
Al3 Pt1 Al3 38.4(3) 3_565 . ?
Al3 Pt1 Al3 38.4(3) 2_665 . ?
Al3 Pt1 Al1 69.83(9) 3_565 . ?
Al3 Pt1 Al1 69.83(9) 2_665 . ?
Al3 Pt1 Al1 102.47(18) . . ?
Al3 Pt1 Al1 69.83(9) 3_565 1_545 ?
Al3 Pt1 Al1 102.47(18) 2_665 1_545 ?
Al3 Pt1 Al1 69.83(9) . 1_545 ?
Al1 Pt1 Al1 117.15(4) . 1_545 ?
Al3 Pt1 Al1 102.47(19) 3_565 1_655 ?
Al3 Pt1 Al1 69.83(9) 2_665 1_655 ?
Al3 Pt1 Al1 69.83(9) . 1_655 ?
Al1 Pt1 Al1 117.15(4) . 1_655 ?
Al1 Pt1 Al1 117.15(4) 1_545 1_655 ?
Al3 Pt1 Al2 157.71(17) 3_565 . ?
Al3 Pt1 Al2 157.71(17) 2_665 . ?
Al3 Pt1 Al2 157.71(17) . . ?
Al1 Pt1 Al2 99.82(6) . . ?
Al1 Pt1 Al2 99.82(6) 1_545 . ?
Al1 Pt1 Al2 99.82(6) 1_655 . ?
Al3 Pt1 Al2 121.74(8) 3_565 13_676 ?
Al3 Pt1 Al2 89.98(18) 2_665 13_676 ?
Al3 Pt1 Al2 121.74(8) . 13_676 ?
Al1 Pt1 Al2 66.97(4) . 13_676 ?
Al1 Pt1 Al2 167.56(9) 1_545 13_676 ?
Al1 Pt1 Al2 66.97(4) 1_655 13_676 ?
Al2 Pt1 Al2 67.73(6) . 13_676 ?
Al3 Pt1 Al2 89.98(18) 3_565 13_566 ?
Al3 Pt1 Al2 121.74(8) 2_665 13_566 ?
Al3 Pt1 Al2 121.74(8) . 13_566 ?
Al1 Pt1 Al2 66.97(4) . 13_566 ?
Al1 Pt1 Al2 66.97(4) 1_545 13_566 ?
Al1 Pt1 Al2 167.56(9) 1_655 13_566 ?
Al2 Pt1 Al2 67.73(6) . 13_566 ?
Al2 Pt1 Al2 106.53(6) 13_676 13_566 ?
Al3 Pt1 Al2 121.74(8) 3_565 13_666 ?
Al3 Pt1 Al2 121.74(8) 2_665 13_666 ?
Al3 Pt1 Al2 89.98(18) . 13_666 ?
Al1 Pt1 Al2 167.56(9) . 13_666 ?
Al1 Pt1 Al2 66.97(4) 1_545 13_666 ?
Al1 Pt1 Al2 66.97(4) 1_655 13_666 ?
Al2 Pt1 Al2 67.73(6) . 13_666 ?
Al2 Pt1 Al2 106.53(6) 13_676 13_666 ?
Al2 Pt1 Al2 106.53(6) 13_566 13_666 ?
Al3 Pt1 Gd2 24.56(17) 3_565 1_455 ?
Al3 Pt1 Gd2 60.37(12) 2_665 1_455 ?
Al3 Pt1 Gd2 60.37(12) . 1_455 ?
Al1 Pt1 Gd2 61.57(4) . 1_455 ?
Al1 Pt1 Gd2 61.57(4) 1_545 1_455 ?
Al1 Pt1 Gd2 127.03(6) 1_655 1_455 ?
Al2 Pt1 Gd2 133.146(5) . 1_455 ?
Al2 Pt1 Gd2 126.64(4) 13_676 1_455 ?
Al2 Pt1 Gd2 65.41(6) 13_566 1_455 ?
Al2 Pt1 Gd2 126.64(4) 13_666 1_455 ?
Al3 Pt1 Gd2 60.37(12) 3_565 1_565 ?
Al3 Pt1 Gd2 24.56(17) 2_665 1_565 ?
Al3 Pt1 Gd2 60.37(12) . 1_565 ?
Al1 Pt1 Gd2 61.57(4) . 1_565 ?
Al1 Pt1 Gd2 127.03(6) 1_545 1_565 ?
Al1 Pt1 Gd2 61.57(4) 1_655 1_565 ?
Al2 Pt1 Gd2 133.146(5) . 1_565 ?
Al2 Pt1 Gd2 65.41(6) 13_676 1_565 ?
Al2 Pt1 Gd2 126.64(4) 13_566 1_565 ?
Al2 Pt1 Gd2 126.64(4) 13_666 1_565 ?
Gd2 Pt1 Gd2 78.376(8) 1_455 1_565 ?
Al3 Gd2 Al3 120.0 3_665 2_655 ?
Al3 Gd2 Al3 120.000(1) 3_665 . ?
Al3 Gd2 Al3 120.0 2_655 . ?
Al3 Gd2 Al3 135.60(11) 3_665 3 ?
Al3 Gd2 Al3 15.60(11) 2_655 3 ?
Al3 Gd2 Al3 104.40(11) . 3 ?
Al3 Gd2 Al3 15.60(11) 3_665 2_765 ?
Al3 Gd2 Al3 135.60(11) 2_655 2_765 ?
Al3 Gd2 Al3 104.40(11) . 2_765 ?
Al3 Gd2 Al3 151.2(2) 3 2_765 ?
Al3 Gd2 Al3 15.60(11) 3_665 1_655 ?
Al3 Gd2 Al3 104.40(11) 2_655 1_655 ?
Al3 Gd2 Al3 135.60(11) . 1_655 ?
Al3 Gd2 Al3 120.0 3 1_655 ?
Al3 Gd2 Al3 31.2(2) 2_765 1_655 ?
Al3 Gd2 Al3 104.40(10) 3_665 1_545 ?
Al3 Gd2 Al3 15.60(11) 2_655 1_545 ?
Al3 Gd2 Al3 135.60(11) . 1_545 ?
Al3 Gd2 Al3 31.2(2) 3 1_545 ?
Al3 Gd2 Al3 120.000(1) 2_765 1_545 ?
Al3 Gd2 Al3 88.8(2) 1_655 1_545 ?
Al3 Gd2 Al3 135.60(11) 3_665 3_565 ?
Al3 Gd2 Al3 104.40(11) 2_655 3_565 ?
Al3 Gd2 Al3 15.60(11) . 3_565 ?
Al3 Gd2 Al3 88.8(2) 3 3_565 ?
Al3 Gd2 Al3 120.000(2) 2_765 3_565 ?
Al3 Gd2 Al3 151.2(2) 1_655 3_565 ?
Al3 Gd2 Al3 120.000(3) 1_545 3_565 ?
Al3 Gd2 Al3 104.40(11) 3_665 2_665 ?
Al3 Gd2 Al3 135.60(11) 2_655 2_665 ?
Al3 Gd2 Al3 15.60(11) . 2_665 ?
Al3 Gd2 Al3 120.000(3) 3 2_665 ?
Al3 Gd2 Al3 88.8(2) 2_765 2_665 ?
Al3 Gd2 Al3 120.000(3) 1_655 2_665 ?
Al3 Gd2 Al3 151.2(2) 1_545 2_665 ?
Al3 Gd2 Al3 31.2(2) 3_565 2_665 ?
Al3 Gd2 Al1 142.62(4) 3_665 16_546 ?
Al3 Gd2 Al1 66.591(14) 2_655 16_546 ?
Al3 Gd2 Al1 66.591(14) . 16_546 ?
Al3 Gd2 Al1 55.41(7) 3 16_546 ?
Al3 Gd2 Al1 139.94(5) 2_765 16_546 ?
Al3 Gd2 Al1 139.94(5) 1_655 16_546 ?
Al3 Gd2 Al1 78.60(8) 1_545 16_546 ?
Al3 Gd2 Al1 55.41(8) 3_565 16_546 ?
Al3 Gd2 Al1 78.60(8) 2_665 16_546 ?
Al3 Gd2 Al1 66.591(14) 3_665 1_655 ?
Al3 Gd2 Al1 142.62(4) 2_655 1_655 ?
Al3 Gd2 Al1 66.591(14) . 1_655 ?
Al3 Gd2 Al1 139.94(5) 3 1_655 ?
Al3 Gd2 Al1 55.41(7) 2_765 1_655 ?
Al3 Gd2 Al1 78.60(8) 1_655 1_655 ?
Al3 Gd2 Al1 139.94(5) 1_545 1_655 ?
Al3 Gd2 Al1 78.60(9) 3_565 1_655 ?
Al3 Gd2 Al1 55.41(8) 2_665 1_655 ?
Al1 Gd2 Al1 133.18(3) 16_546 1_655 ?
Al3 Gd2 Al1 66.591(14) 3_665 1_645 ?
Al3 Gd2 Al1 66.591(14) 2_655 1_645 ?
Al3 Gd2 Al1 142.62(4) . 1_645 ?
Al3 Gd2 Al1 78.60(8) 3 1_645 ?
Al3 Gd2 Al1 78.60(8) 2_765 1_645 ?
Al3 Gd2 Al1 55.41(7) 1_655 1_645 ?
Al3 Gd2 Al1 55.41(7) 1_545 1_645 ?
Al3 Gd2 Al1 139.94(5) 3_565 1_645 ?
Al3 Gd2 Al1 139.94(5) 2_665 1_645 ?
Al1 Gd2 Al1 133.18(3) 16_546 1_645 ?
Al1 Gd2 Al1 86.97(6) 1_655 1_645 ?
Pt1 Al1 Pt1 117.15(4) . 1_565 ?
Pt1 Al1 Pt1 117.15(4) . 1_455 ?
Pt1 Al1 Pt1 117.15(4) 1_565 1_455 ?
Pt1 Al1 Al2 59.23(3) . 13_676 ?
Pt1 Al1 Al2 59.23(3) 1_565 13_676 ?
Pt1 Al1 Al2 139.95(12) 1_455 13_676 ?
Pt1 Al1 Al2 139.95(12) . 13_576 ?
Pt1 Al1 Al2 59.23(3) 1_565 13_576 ?
Pt1 Al1 Al2 59.23(3) 1_455 13_576 ?
Al2 Al1 Al2 96.88(9) 13_676 13_576 ?
Pt1 Al1 Al2 59.23(3) . 13_566 ?
Pt1 Al1 Al2 139.95(12) 1_565 13_566 ?
Pt1 Al1 Al2 59.23(3) 1_455 13_566 ?
Al2 Al1 Al2 96.88(9) 13_676 13_566 ?
Al2 Al1 Al2 96.88(9) 13_576 13_566 ?
Pt1 Al1 Al3 102.16(17) . 1_455 ?
Pt1 Al1 Al3 134.42(14) 1_565 1_455 ?
Pt1 Al1 Al3 55.01(9) 1_455 1_455 ?
Al2 Al1 Al3 158.88(16) 13_676 1_455 ?
Al2 Al1 Al3 104.20(15) 13_576 1_455 ?
Al2 Al1 Al3 79.41(9) 13_566 1_455 ?
Pt1 Al1 Al3 134.42(15) . 2_565 ?
Pt1 Al1 Al3 102.16(16) 1_565 2_565 ?
Pt1 Al1 Al3 55.01(9) 1_455 2_565 ?
Al2 Al1 Al3 158.88(17) 13_676 2_565 ?
Al2 Al1 Al3 79.41(9) 13_576 2_565 ?
Al2 Al1 Al3 104.20(16) 13_566 2_565 ?
Al3 Al1 Al3 33.3(3) 1_455 2_565 ?
Pt1 Al1 Al3 55.01(9) . 3_565 ?
Pt1 Al1 Al3 134.42(15) 1_565 3_565 ?
Pt1 Al1 Al3 102.16(17) 1_455 3_565 ?
Al2 Al1 Al3 104.20(15) 13_676 3_565 ?
Al2 Al1 Al3 158.88(16) 13_576 3_565 ?
Al2 Al1 Al3 79.41(9) 13_566 3_565 ?
Al3 Al1 Al3 54.7(3) 1_455 3_565 ?
Al3 Al1 Al3 81.37(7) 2_565 3_565 ?
Pt1 Al1 Al3 102.16(17) . 1_565 ?
Pt1 Al1 Al3 55.01(9) 1_565 1_565 ?
Pt1 Al1 Al3 134.42(14) 1_455 1_565 ?
Al2 Al1 Al3 79.41(9) 13_676 1_565 ?
Al2 Al1 Al3 104.20(15) 13_576 1_565 ?
Al2 Al1 Al3 158.88(16) 13_566 1_565 ?
Al3 Al1 Al3 96.51(9) 1_455 1_565 ?
Al3 Al1 Al3 81.37(7) 2_565 1_565 ?
Al3 Al1 Al3 81.37(7) 3_565 1_565 ?
Pt1 Al1 Al3 134.42(15) . 3_575 ?
Pt1 Al1 Al3 55.01(9) 1_565 3_575 ?
Pt1 Al1 Al3 102.16(16) 1_455 3_575 ?
Al2 Al1 Al3 104.20(16) 13_676 3_575 ?
Al2 Al1 Al3 79.41(9) 13_576 3_575 ?
Al2 Al1 Al3 158.88(17) 13_566 3_575 ?
Al3 Al1 Al3 81.37(7) 1_455 3_575 ?
Al3 Al1 Al3 54.7(3) 2_565 3_575 ?
Al3 Al1 Al3 96.51(9) 3_565 3_575 ?
Al3 Al1 Al3 33.3(3) 1_565 3_575 ?
Pt1 Al1 Al3 55.01(9) . 2_665 ?
Pt1 Al1 Al3 102.16(17) 1_565 2_665 ?
Pt1 Al1 Al3 134.42(15) 1_455 2_665 ?
Al2 Al1 Al3 79.41(9) 13_676 2_665 ?
Al2 Al1 Al3 158.88(16) 13_576 2_665 ?
Al2 Al1 Al3 104.20(15) 13_566 2_665 ?
Al3 Al1 Al3 81.37(7) 1_455 2_665 ?
Al3 Al1 Al3 96.51(9) 2_565 2_665 ?
Al3 Al1 Al3 33.3(3) 3_565 2_665 ?
Al3 Al1 Al3 54.7(3) 1_565 2_665 ?
Al3 Al1 Al3 81.37(7) 3_575 2_665 ?
Pt1 Al2 Pt1 112.27(6) . 13_676 ?
Pt1 Al2 Pt1 112.27(6) . 13_566 ?
Pt1 Al2 Pt1 106.53(6) 13_676 13_566 ?
Pt1 Al2 Pt1 112.27(6) . 13_666 ?
Pt1 Al2 Pt1 106.53(6) 13_676 13_666 ?
Pt1 Al2 Pt1 106.53(6) 13_566 13_666 ?
Pt1 Al2 Al1 120.23(7) . 13_676 ?
Pt1 Al2 Al1 53.80(3) 13_676 13_676 ?
Pt1 Al2 Al1 127.50(11) 13_566 13_676 ?
Pt1 Al2 Al1 53.80(3) 13_666 13_676 ?
Pt1 Al2 Al1 120.23(7) . 13_576 ?
Pt1 Al2 Al1 53.80(3) 13_676 13_576 ?
Pt1 Al2 Al1 53.80(3) 13_566 13_576 ?
Pt1 Al2 Al1 127.50(11) 13_666 13_576 ?
Al1 Al2 Al1 96.88(9) 13_676 13_576 ?
Pt1 Al2 Al1 120.23(7) . 13_566 ?
Pt1 Al2 Al1 127.50(11) 13_676 13_566 ?
Pt1 Al2 Al1 53.80(3) 13_566 13_566 ?
Pt1 Al2 Al1 53.80(3) 13_666 13_566 ?
Al1 Al2 Al1 96.88(9) 13_676 13_566 ?
Al1 Al2 Al1 96.88(9) 13_576 13_566 ?
Pt1 Al2 Al2 58.44(10) . 13_566 ?
Pt1 Al2 Al2 126.342(14) 13_676 13_566 ?
Pt1 Al2 Al2 53.82(4) 13_566 13_566 ?
Pt1 Al2 Al2 126.342(14) 13_666 13_566 ?
Al1 Al2 Al2 178.67(15) 13_676 13_566 ?
Al1 Al2 Al2 83.99(5) 13_576 13_566 ?
Al1 Al2 Al2 83.99(5) 13_566 13_566 ?
Pt1 Al2 Al2 58.44(10) . 13_676 ?
Pt1 Al2 Al2 53.82(4) 13_676 13_676 ?
Pt1 Al2 Al2 126.342(14) 13_566 13_676 ?
Pt1 Al2 Al2 126.342(13) 13_666 13_676 ?
Al1 Al2 Al2 83.99(5) 13_676 13_676 ?
Al1 Al2 Al2 83.99(5) 13_576 13_676 ?
Al1 Al2 Al2 178.67(15) 13_566 13_676 ?
Al2 Al2 Al2 95.12(13) 13_566 13_676 ?
Pt1 Al2 Al2 58.44(10) . 13_666 ?
Pt1 Al2 Al2 126.342(13) 13_676 13_666 ?
Pt1 Al2 Al2 126.342(14) 13_566 13_666 ?
Pt1 Al2 Al2 53.82(4) 13_666 13_666 ?
Al1 Al2 Al2 83.99(5) 13_676 13_666 ?
Al1 Al2 Al2 178.67(15) 13_576 13_666 ?
Al1 Al2 Al2 83.99(5) 13_566 13_666 ?
Al2 Al2 Al2 95.12(13) 13_566 13_666 ?
Al2 Al2 Al2 95.12(13) 13_676 13_666 ?
Pt1 Al2 Gd2 180.0 . 13_666 ?
Pt1 Al2 Gd2 67.73(6) 13_676 13_666 ?
Pt1 Al2 Gd2 67.73(6) 13_566 13_666 ?
Pt1 Al2 Gd2 67.73(6) 13_666 13_666 ?
Al1 Al2 Gd2 59.77(7) 13_676 13_666 ?
Al1 Al2 Gd2 59.77(7) 13_576 13_666 ?
Al1 Al2 Gd2 59.77(7) 13_566 13_666 ?
Al2 Al2 Gd2 121.56(10) 13_566 13_666 ?
Al2 Al2 Gd2 121.56(10) 13_676 13_666 ?
Al2 Al2 Gd2 121.56(10) 13_666 13_666 ?
Gd2 Al3 Al3 150.000(8) . 3_565 ?
Gd2 Al3 Al3 150.000(9) . 2_665 ?
Al3 Al3 Al3 60.000(5) 3_565 2_665 ?
Gd2 Al3 Pt1 112.29(17) . . ?
Al3 Al3 Pt1 70.82(14) 3_565 . ?
Al3 Al3 Pt1 70.82(14) 2_665 . ?
Gd2 Al3 Pt1 112.29(17) . 16_556 ?
Al3 Al3 Pt1 70.82(14) 3_565 16_556 ?
Al3 Al3 Pt1 70.82(14) 2_665 16_556 ?
Pt1 Al3 Pt1 135.4(3) . 16_556 ?
Gd2 Al3 Al3 30.000(1) . 3_665 ?
Al3 Al3 Al3 180.0(5) 3_565 3_665 ?
Al3 Al3 Al3 120.000(2) 2_665 3_665 ?
Pt1 Al3 Al3 109.18(15) . 3_665 ?
Pt1 Al3 Al3 109.18(15) 16_556 3_665 ?
Gd2 Al3 Al3 30.000(1) . 2_655 ?
Al3 Al3 Al3 120.000(6) 3_565 2_655 ?
Al3 Al3 Al3 180.000(5) 2_665 2_655 ?
Pt1 Al3 Al3 109.18(15) . 2_655 ?
Pt1 Al3 Al3 109.18(15) 16_556 2_655 ?
Al3 Al3 Al3 60.000(2) 3_665 2_655 ?
Gd2 Al3 Al1 84.28(16) . 1_655 ?
Al3 Al3 Al1 117.35(15) 3_565 1_655 ?
Al3 Al3 Al1 73.34(15) 2_665 1_655 ?
Pt1 Al3 Al1 55.16(4) . 1_655 ?
Pt1 Al3 Al1 130.31(11) 16_556 1_655 ?
Al3 Al3 Al1 62.65(15) 3_665 1_655 ?
Al3 Al3 Al1 106.66(15) 2_655 1_655 ?
Gd2 Al3 Al1 84.28(16) . 16_546 ?
Al3 Al3 Al1 73.34(15) 3_565 16_546 ?
Al3 Al3 Al1 117.35(15) 2_665 16_546 ?
Pt1 Al3 Al1 130.31(11) . 16_546 ?
Pt1 Al3 Al1 55.16(4) 16_556 16_546 ?
Al3 Al3 Al1 106.66(15) 3_665 16_546 ?
Al3 Al3 Al1 62.65(15) 2_655 16_546 ?
Al1 Al3 Al1 168.6(3) 1_655 16_546 ?
Gd2 Al3 Al1 84.28(16) . 1_545 ?
Al3 Al3 Al1 73.34(15) 3_565 1_545 ?
Al3 Al3 Al1 117.35(15) 2_665 1_545 ?
Pt1 Al3 Al1 55.16(4) . 1_545 ?
Pt1 Al3 Al1 130.31(11) 16_556 1_545 ?
Al3 Al3 Al1 106.66(15) 3_665 1_545 ?
Al3 Al3 Al1 62.65(15) 2_655 1_545 ?
Al1 Al3 Al1 96.51(9) 1_655 1_545 ?
Al1 Al3 Al1 82.34(9) 16_546 1_545 ?
Gd2 Al3 Al1 84.28(16) . 16_656 ?
Al3 Al3 Al1 117.35(15) 3_565 16_656 ?
Al3 Al3 Al1 73.34(15) 2_665 16_656 ?
Pt1 Al3 Al1 130.31(11) . 16_656 ?
Pt1 Al3 Al1 55.16(4) 16_556 16_656 ?
Al3 Al3 Al1 62.65(15) 3_665 16_656 ?
Al3 Al3 Al1 106.66(15) 2_655 16_656 ?
Al1 Al3 Al1 82.34(9) 1_655 16_656 ?
Al1 Al3 Al1 96.51(9) 16_546 16_656 ?
Al1 Al3 Al1 168.6(3) 1_545 16_656 ?
Gd2 Al3 Gd2 135.60(11) . 1_565 ?
Al3 Al3 Gd2 74.40(10) 3_565 1_565 ?
Al3 Al3 Gd2 14.40(10) 2_665 1_565 ?
Pt1 Al3 Gd2 74.28(15) . 1_565 ?
Pt1 Al3 Gd2 74.28(15) 16_556 1_565 ?
Al3 Al3 Gd2 105.60(11) 3_665 1_565 ?
Al3 Al3 Gd2 165.60(11) 2_655 1_565 ?
Al1 Al3 Gd2 63.20(7) 1_655 1_565 ?
Al1 Al3 Gd2 126.39(19) 16_546 1_565 ?
Al1 Al3 Gd2 126.39(19) 1_545 1_565 ?
Al1 Al3 Gd2 63.20(7) 16_656 1_565 ?
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 Al3 2.509(3) 3_565 ?
Pt1 Al3 2.509(3) 2_665 ?
Pt1 Al3 2.509(3) . ?
Pt1 Al1 2.5141(5) . ?
Pt1 Al1 2.5141(5) 1_545 ?
Pt1 Al1 2.5141(5) 1_655 ?
Pt1 Al2 2.536(3) . ?
Pt1 Al2 2.6769(11) 13_676 ?
Pt1 Al2 2.6769(11) 13_566 ?
Pt1 Al2 2.6769(11) 13_666 ?
Pt1 Gd2 3.3953(3) 1_455 ?
Pt1 Gd2 3.3953(3) 1_565 ?
Gd2 Al3 1.525(8) 3_665 ?
Gd2 Al3 1.525(8) 2_655 ?
Gd2 Al3 1.525(8) . ?
Gd2 Al3 3.066(6) 3 ?
Gd2 Al3 3.066(6) 2_765 ?
Gd2 Al3 3.066(6) 1_655 ?
Gd2 Al3 3.066(6) 1_545 ?
Gd2 Al3 3.066(6) 3_565 ?
Gd2 Al3 3.066(6) 2_665 ?
Gd2 Al1 3.1176(17) 16_546 ?
Gd2 Al1 3.1176(17) 1_655 ?
Gd2 Al1 3.1176(17) 1_645 ?
Al1 Pt1 2.5141(5) 1_565 ?
Al1 Pt1 2.5141(5) 1_455 ?
Al1 Al2 2.8671(19) 13_676 ?
Al1 Al2 2.8671(19) 13_576 ?
Al1 Al2 2.8671(19) 13_566 ?
Al1 Al3 2.875(2) 1_455 ?
Al1 Al3 2.875(2) 2_565 ?
Al1 Al3 2.875(2) 3_565 ?
Al1 Al3 2.875(2) 1_565 ?
Al1 Al3 2.875(2) 3_575 ?
Al1 Al3 2.875(2) 2_665 ?
Al2 Pt1 2.6769(11) 13_676 ?
Al2 Pt1 2.6769(11) 13_566 ?
Al2 Pt1 2.6769(11) 13_666 ?
Al2 Al1 2.8671(19) 13_676 ?
Al2 Al1 2.8671(19) 13_576 ?
Al2 Al1 2.8671(19) 13_566 ?
Al2 Al2 2.907(3) 13_566 ?
Al2 Al2 2.907(3) 13_676 ?
Al2 Al2 2.907(3) 13_666 ?
Al2 Gd2 3.336(3) 13_666 ?
Al3 Al3 1.649(14) 3_565 ?
Al3 Al3 1.649(14) 2_665 ?
Al3 Pt1 2.509(3) 16_556 ?
Al3 Al3 2.642(14) 3_665 ?
Al3 Al3 2.642(14) 2_655 ?
Al3 Al1 2.875(2) 1_655 ?
Al3 Al1 2.875(2) 16_546 ?
Al3 Al1 2.875(2) 1_545 ?
Al3 Al1 2.875(2) 16_656 ?
Al3 Gd2 3.066(6) 1_565 ?
