#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:52:50 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179267 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/87/4318707.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_4318707
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            'Al4 Gd0.66 Pt2 Si'
_chemical_formula_weight         629.97
_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                   4.2482(6)
_cell_length_b                   4.2482(6)
_cell_length_c                   16.156(3)
_cell_measurement_temperature    293(2)
_cell_volume                     252.51(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0632
_diffrn_reflns_av_sigmaI/netI    0.0238
_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       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2262
_diffrn_reflns_theta_full        27.95
_diffrn_reflns_theta_max         27.95
_diffrn_reflns_theta_min         2.52
_exptl_absorpt_coefficient_mu    32.310
_exptl_crystal_density_diffrn    8.307
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             264
_refine_diff_density_max         2.134
_refine_diff_density_min         -4.527
_refine_diff_density_rms         0.572
_refine_ls_extinction_coef       0.0085(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.302
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     19
_refine_ls_number_reflns         150
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.302
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0300
_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)+(0.0458P)²+0.1668P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0700
_reflns_number_gt                143
_reflns_number_total             150
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025623n_4.cif
_cod_data_source_block           2sl122bc
_cod_database_code               4318707
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 0.61015(4) 0.0104(4) Uani 1 6 d S . .
Gd2 Gd 0.3333 0.6667 0.2500 0.0095(8) Uani 0.525(6) 12 d SP . .
Al1 Al 0.0000 1.0000 0.1382(3) 0.0129(11) Uani 1 6 d S . .
Al2 Al 0.3333 0.6667 0.0479(3) 0.0091(10) Uani 1 6 d S . .
Al3 Al 0.5304(14) 0.061(3) 0.2500 0.015(4) Uani 0.321(19) 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'
Si Si 0.0817 0.0704 '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 41.1(4) 13_666 14_566 ?
Al3 Pt1 Al3 41.1(4) 13_666 15_556 ?
Al3 Pt1 Al3 41.1(4) 14_566 15_556 ?
Al3 Pt1 Al1 68.57(14) 13_666 4_575 ?
Al3 Pt1 Al1 68.57(14) 14_566 4_575 ?
Al3 Pt1 Al1 103.5(2) 15_556 4_575 ?
Al3 Pt1 Al1 68.57(13) 13_666 4_675 ?
Al3 Pt1 Al1 103.5(3) 14_566 4_675 ?
Al3 Pt1 Al1 68.57(14) 15_556 4_675 ?
Al1 Pt1 Al1 116.78(7) 4_575 4_675 ?
Al3 Pt1 Al1 103.5(3) 13_666 4_565 ?
Al3 Pt1 Al1 68.57(13) 14_566 4_565 ?
Al3 Pt1 Al1 68.57(14) 15_556 4_565 ?
Al1 Pt1 Al1 116.78(7) 4_575 4_565 ?
Al1 Pt1 Al1 116.78(6) 4_675 4_565 ?
Al3 Pt1 Al2 156.1(2) 13_666 16_556 ?
Al3 Pt1 Al2 156.1(2) 14_566 16_556 ?
Al3 Pt1 Al2 156.1(2) 15_556 16_556 ?
Al1 Pt1 Al2 100.45(11) 4_575 16_556 ?
Al1 Pt1 Al2 100.45(11) 4_675 16_556 ?
Al1 Pt1 Al2 100.45(11) 4_565 16_556 ?
Al3 Pt1 Al2 122.30(12) 13_666 4_565 ?
Al3 Pt1 Al2 88.3(3) 14_566 4_565 ?
Al3 Pt1 Al2 122.30(12) 15_556 4_565 ?
Al1 Pt1 Al2 67.28(7) 4_575 4_565 ?
Al1 Pt1 Al2 168.17(16) 4_675 4_565 ?
Al1 Pt1 Al2 67.28(7) 4_565 4_565 ?
Al2 Pt1 Al2 67.72(11) 16_556 4_565 ?
Al3 Pt1 Al2 88.3(3) 13_666 4_675 ?
Al3 Pt1 Al2 122.30(12) 14_566 4_675 ?
Al3 Pt1 Al2 122.30(12) 15_556 4_675 ?
Al1 Pt1 Al2 67.28(7) 4_575 4_675 ?
Al1 Pt1 Al2 67.28(7) 4_675 4_675 ?
Al1 Pt1 Al2 168.17(16) 4_565 4_675 ?
Al2 Pt1 Al2 67.72(11) 16_556 4_675 ?
Al2 Pt1 Al2 106.52(12) 4_565 4_675 ?
Al3 Pt1 Al2 122.30(12) 13_666 4_665 ?
Al3 Pt1 Al2 122.30(12) 14_566 4_665 ?
Al3 Pt1 Al2 88.3(2) 15_556 4_665 ?
Al1 Pt1 Al2 168.17(15) 4_575 4_665 ?
Al1 Pt1 Al2 67.28(7) 4_675 4_665 ?
Al1 Pt1 Al2 67.28(7) 4_565 4_665 ?
Al2 Pt1 Al2 67.72(11) 16_556 4_665 ?
Al2 Pt1 Al2 106.52(12) 4_565 4_665 ?
Al2 Pt1 Al2 106.52(12) 4_675 4_665 ?
Al3 Pt1 Gd2 23.4(2) 13_666 13_676 ?
Al3 Pt1 Gd2 61.96(17) 14_566 13_676 ?
Al3 Pt1 Gd2 61.96(16) 15_556 13_676 ?
Al1 Pt1 Gd2 61.01(7) 4_575 13_676 ?
Al1 Pt1 Gd2 61.01(7) 4_675 13_676 ?
Al1 Pt1 Gd2 126.89(11) 4_565 13_676 ?
Al2 Pt1 Gd2 132.651(10) 16_556 13_676 ?
Al2 Pt1 Gd2 126.67(7) 4_565 13_676 ?
Al2 Pt1 Gd2 64.94(11) 4_675 13_676 ?
Al2 Pt1 Gd2 126.67(7) 4_665 13_676 ?
Al3 Pt1 Gd2 61.96(16) 13_666 13_566 ?
Al3 Pt1 Gd2 23.4(2) 14_566 13_566 ?
Al3 Pt1 Gd2 61.96(16) 15_556 13_566 ?
Al1 Pt1 Gd2 61.01(7) 4_575 13_566 ?
Al1 Pt1 Gd2 126.89(11) 4_675 13_566 ?
Al1 Pt1 Gd2 61.01(7) 4_565 13_566 ?
Al2 Pt1 Gd2 132.651(10) 16_556 13_566 ?
Al2 Pt1 Gd2 64.94(11) 4_565 13_566 ?
Al2 Pt1 Gd2 126.67(7) 4_675 13_566 ?
Al2 Pt1 Gd2 126.67(7) 4_665 13_566 ?
Gd2 Pt1 Gd2 79.130(15) 13_676 13_566 ?
Al3 Gd2 Al3 120.000(2) 2 1_565 ?
Al3 Gd2 Al3 120.000(1) 2 3_665 ?
Al3 Gd2 Al3 120.000(2) 1_565 3_665 ?
Al3 Gd2 Al1 66.26(2) 2 1_545 ?
Al3 Gd2 Al1 143.62(7) 1_565 1_545 ?
Al3 Gd2 Al1 66.26(2) 3_665 1_545 ?
Al3 Gd2 Al1 66.26(2) 2 . ?
Al3 Gd2 Al1 66.26(2) 1_565 . ?
Al3 Gd2 Al1 143.62(7) 3_665 . ?
Al1 Gd2 Al1 88.41(10) 1_545 . ?
Al3 Gd2 Al1 143.62(7) 2 16_656 ?
Al3 Gd2 Al1 66.26(2) 1_565 16_656 ?
Al3 Gd2 Al1 66.26(2) 3_665 16_656 ?
Al1 Gd2 Al1 132.52(5) 1_545 16_656 ?
Al1 Gd2 Al1 132.52(5) . 16_656 ?
Al3 Gd2 Al1 66.26(2) 2 16_556 ?
Al3 Gd2 Al1 66.26(2) 1_565 16_556 ?
Al3 Gd2 Al1 143.62(7) 3_665 16_556 ?
Al1 Gd2 Al1 132.52(5) 1_545 16_556 ?
Al1 Gd2 Al1 72.76(14) . 16_556 ?
Al1 Gd2 Al1 88.41(10) 16_656 16_556 ?
Al3 Gd2 Al1 143.62(7) 2 1_655 ?
Al3 Gd2 Al1 66.26(2) 1_565 1_655 ?
Al3 Gd2 Al1 66.26(2) 3_665 1_655 ?
Al1 Gd2 Al1 88.41(10) 1_545 1_655 ?
Al1 Gd2 Al1 88.41(10) . 1_655 ?
Al1 Gd2 Al1 72.76(14) 16_656 1_655 ?
Al1 Gd2 Al1 132.52(5) 16_556 1_655 ?
Al3 Gd2 Al1 66.26(2) 2 16_546 ?
Al3 Gd2 Al1 143.62(7) 1_565 16_546 ?
Al3 Gd2 Al1 66.26(2) 3_665 16_546 ?
Al1 Gd2 Al1 72.76(14) 1_545 16_546 ?
Al1 Gd2 Al1 132.52(5) . 16_546 ?
Al1 Gd2 Al1 88.41(10) 16_656 16_546 ?
Al1 Gd2 Al1 88.41(10) 16_556 16_546 ?
Al1 Gd2 Al1 132.52(5) 1_655 16_546 ?
Al3 Gd2 Al3 16.38(14) 2 1_455 ?
Al3 Gd2 Al3 136.38(14) 1_565 1_455 ?
Al3 Gd2 Al3 103.62(14) 3_665 1_455 ?
Al1 Gd2 Al3 54.35(10) 1_545 1_455 ?
Al1 Gd2 Al3 79.07(11) . 1_455 ?
Al1 Gd2 Al3 140.57(8) 16_656 1_455 ?
Al1 Gd2 Al3 79.07(11) 16_556 1_455 ?
Al1 Gd2 Al3 140.57(8) 1_655 1_455 ?
Al1 Gd2 Al3 54.35(10) 16_546 1_455 ?
Al3 Gd2 Al3 103.62(14) 2 3_675 ?
Al3 Gd2 Al3 16.38(14) 1_565 3_675 ?
Al3 Gd2 Al3 136.38(14) 3_665 3_675 ?
Al1 Gd2 Al3 140.57(8) 1_545 3_675 ?
Al1 Gd2 Al3 54.35(10) . 3_675 ?
Al1 Gd2 Al3 79.07(11) 16_656 3_675 ?
Al1 Gd2 Al3 54.35(10) 16_556 3_675 ?
Al1 Gd2 Al3 79.07(11) 1_655 3_675 ?
Al1 Gd2 Al3 140.57(8) 16_546 3_675 ?
Al3 Gd2 Al3 120.000(1) 1_455 3_675 ?
Al3 Gd2 Al3 136.38(14) 2 2_665 ?
Al3 Gd2 Al3 16.38(14) 1_565 2_665 ?
Al3 Gd2 Al3 103.62(14) 3_665 2_665 ?
Al1 Gd2 Al3 140.57(8) 1_545 2_665 ?
Al1 Gd2 Al3 79.07(11) . 2_665 ?
Al1 Gd2 Al3 54.35(10) 16_656 2_665 ?
Al1 Gd2 Al3 79.07(11) 16_556 2_665 ?
Al1 Gd2 Al3 54.35(10) 1_655 2_665 ?
Al1 Gd2 Al3 140.57(8) 16_546 2_665 ?
Al3 Gd2 Al3 152.8(3) 1_455 2_665 ?
Al3 Gd2 Al3 32.8(3) 3_675 2_665 ?
Pt1 Al1 Pt1 116.78(6) 4_574 4_564 ?
Pt1 Al1 Pt1 116.78(6) 4_574 4_674 ?
Pt1 Al1 Pt1 116.78(6) 4_564 4_674 ?
Pt1 Al1 Al3 101.3(2) 4_574 3_675 ?
Pt1 Al1 Al3 136.4(2) 4_564 3_675 ?
Pt1 Al1 Al3 55.34(13) 4_674 3_675 ?
Pt1 Al1 Al3 136.4(2) 4_574 2 ?
Pt1 Al1 Al3 55.34(13) 4_564 2 ?
Pt1 Al1 Al3 101.3(2) 4_674 2 ?
Al3 Al1 Al3 82.78(11) 3_675 2 ?
Pt1 Al1 Al3 55.34(12) 4_574 1_465 ?
Pt1 Al1 Al3 101.3(2) 4_564 1_465 ?
Pt1 Al1 Al3 136.4(2) 4_674 1_465 ?
Al3 Al1 Al3 82.78(11) 3_675 1_465 ?
Al3 Al1 Al3 82.78(11) 2 1_465 ?
Pt1 Al1 Al3 136.4(2) 4_574 1_565 ?
Pt1 Al1 Al3 101.3(2) 4_564 1_565 ?
Pt1 Al1 Al3 55.34(13) 4_674 1_565 ?
Al3 Al1 Al3 36.2(4) 3_675 1_565 ?
Al3 Al1 Al3 53.3(4) 2 1_565 ?
Al3 Al1 Al3 98.80(15) 1_465 1_565 ?
Pt1 Al1 Al3 55.34(12) 4_574 2_565 ?
Pt1 Al1 Al3 136.4(2) 4_564 2_565 ?
Pt1 Al1 Al3 101.3(2) 4_674 2_565 ?
Al3 Al1 Al3 53.3(4) 3_675 2_565 ?
Al3 Al1 Al3 98.80(15) 2 2_565 ?
Al3 Al1 Al3 36.2(4) 1_465 2_565 ?
Al3 Al1 Al3 82.78(11) 1_565 2_565 ?
Pt1 Al1 Al3 101.3(2) 4_574 3_565 ?
Pt1 Al1 Al3 55.34(13) 4_564 3_565 ?
Pt1 Al1 Al3 136.4(2) 4_674 3_565 ?
Al3 Al1 Al3 98.80(15) 3_675 3_565 ?
Al3 Al1 Al3 36.2(4) 2 3_565 ?
Al3 Al1 Al3 53.3(4) 1_465 3_565 ?
Al3 Al1 Al3 82.78(11) 1_565 3_565 ?
Al3 Al1 Al3 82.78(11) 2_565 3_565 ?
Pt1 Al1 Al2 58.98(5) 4_574 1_455 ?
Pt1 Al1 Al2 58.98(5) 4_564 1_455 ?
Pt1 Al1 Al2 138.8(2) 4_674 1_455 ?
Al3 Al1 Al2 158.4(2) 3_675 1_455 ?
Al3 Al1 Al2 105.1(2) 2 1_455 ?
Al3 Al1 Al2 78.41(13) 1_465 1_455 ?
Al3 Al1 Al2 158.4(2) 1_565 1_455 ?
Al3 Al1 Al2 105.1(2) 2_565 1_455 ?
Al3 Al1 Al2 78.41(13) 3_565 1_455 ?
Pt1 Al1 Al2 138.8(2) 4_574 . ?
Pt1 Al1 Al2 58.98(5) 4_564 . ?
Pt1 Al1 Al2 58.98(5) 4_674 . ?
Al3 Al1 Al2 105.1(2) 3_675 . ?
Al3 Al1 Al2 78.41(13) 2 . ?
Al3 Al1 Al2 158.4(2) 1_465 . ?
Al3 Al1 Al2 78.41(13) 1_565 . ?
Al3 Al1 Al2 158.4(2) 2_565 . ?
Al3 Al1 Al2 105.1(2) 3_565 . ?
Al2 Al1 Al2 96.23(16) 1_455 . ?
Pt1 Al1 Al2 58.98(5) 4_574 1_565 ?
Pt1 Al1 Al2 138.8(2) 4_564 1_565 ?
Pt1 Al1 Al2 58.98(5) 4_674 1_565 ?
Al3 Al1 Al2 78.41(13) 3_675 1_565 ?
Al3 Al1 Al2 158.4(2) 2 1_565 ?
Al3 Al1 Al2 105.1(2) 1_465 1_565 ?
Al3 Al1 Al2 105.1(2) 1_565 1_565 ?
Al3 Al1 Al2 78.41(13) 2_565 1_565 ?
Al3 Al1 Al2 158.4(2) 3_565 1_565 ?
Al2 Al1 Al2 96.23(16) 1_455 1_565 ?
Al2 Al1 Al2 96.23(16) . 1_565 ?
Pt1 Al2 Pt1 112.28(11) 16_556 4_674 ?
Pt1 Al2 Pt1 112.28(11) 16_556 4_564 ?
Pt1 Al2 Pt1 106.52(12) 4_674 4_564 ?
Pt1 Al2 Pt1 112.28(11) 16_556 4_664 ?
Pt1 Al2 Pt1 106.52(12) 4_674 4_664 ?
Pt1 Al2 Pt1 106.52(12) 4_564 4_664 ?
Pt1 Al2 Al1 120.72(12) 16_556 . ?
Pt1 Al2 Al1 53.74(5) 4_674 . ?
Pt1 Al2 Al1 53.74(5) 4_564 . ?
Pt1 Al2 Al1 127.0(2) 4_664 . ?
Pt1 Al2 Al1 120.72(12) 16_556 1_655 ?
Pt1 Al2 Al1 53.74(5) 4_674 1_655 ?
Pt1 Al2 Al1 127.0(2) 4_564 1_655 ?
Pt1 Al2 Al1 53.74(5) 4_664 1_655 ?
Al1 Al2 Al1 96.23(16) . 1_655 ?
Pt1 Al2 Al1 120.72(12) 16_556 1_545 ?
Pt1 Al2 Al1 127.0(2) 4_674 1_545 ?
Pt1 Al2 Al1 53.74(5) 4_564 1_545 ?
Pt1 Al2 Al1 53.74(5) 4_664 1_545 ?
Al1 Al2 Al1 96.23(16) . 1_545 ?
Al1 Al2 Al1 96.23(16) 1_655 1_545 ?
Pt1 Al2 Al2 57.73(18) 16_556 13_565 ?
Pt1 Al2 Al2 126.42(3) 4_674 13_565 ?
Pt1 Al2 Al2 54.56(7) 4_564 13_565 ?
Pt1 Al2 Al2 126.42(3) 4_664 13_565 ?
Al1 Al2 Al2 84.80(8) . 13_565 ?
Al1 Al2 Al2 178.5(3) 1_655 13_565 ?
Al1 Al2 Al2 84.80(8) 1_545 13_565 ?
Pt1 Al2 Al2 57.73(18) 16_556 13_675 ?
Pt1 Al2 Al2 54.56(7) 4_674 13_675 ?
Pt1 Al2 Al2 126.42(3) 4_564 13_675 ?
Pt1 Al2 Al2 126.42(3) 4_664 13_675 ?
Al1 Al2 Al2 84.80(8) . 13_675 ?
Al1 Al2 Al2 84.80(8) 1_655 13_675 ?
Al1 Al2 Al2 178.5(3) 1_545 13_675 ?
Al2 Al2 Al2 94.2(2) 13_565 13_675 ?
Pt1 Al2 Al2 57.73(18) 16_556 13_665 ?
Pt1 Al2 Al2 126.42(3) 4_674 13_665 ?
Pt1 Al2 Al2 126.42(3) 4_564 13_665 ?
Pt1 Al2 Al2 54.56(7) 4_664 13_665 ?
Al1 Al2 Al2 178.5(3) . 13_665 ?
Al1 Al2 Al2 84.80(8) 1_655 13_665 ?
Al1 Al2 Al2 84.80(8) 1_545 13_665 ?
Al2 Al2 Al2 94.2(2) 13_565 13_665 ?
Al2 Al2 Al2 94.2(2) 13_675 13_665 ?
Pt1 Al2 Gd2 180.0 16_556 . ?
Pt1 Al2 Gd2 67.72(11) 4_674 . ?
Pt1 Al2 Gd2 67.72(11) 4_564 . ?
Pt1 Al2 Gd2 67.72(11) 4_664 . ?
Al1 Al2 Gd2 59.28(12) . . ?
Al1 Al2 Gd2 59.28(12) 1_655 . ?
Al1 Al2 Gd2 59.28(12) 1_545 . ?
Al2 Al2 Gd2 122.27(18) 13_565 . ?
Al2 Al2 Gd2 122.27(18) 13_675 . ?
Al2 Al2 Gd2 122.27(18) 13_665 . ?
Gd2 Al3 Al3 150.000(1) 1_545 2_655 ?
Gd2 Al3 Al3 150.0 1_545 3_665 ?
Al3 Al3 Al3 60.0 2_655 3_665 ?
Gd2 Al3 Pt1 113.9(2) 1_545 4_664 ?
Al3 Al3 Pt1 69.43(19) 2_655 4_664 ?
Al3 Al3 Pt1 69.43(19) 3_665 4_664 ?
Gd2 Al3 Pt1 113.9(2) 1_545 13_666 ?
Al3 Al3 Pt1 69.43(19) 2_655 13_666 ?
Al3 Al3 Pt1 69.43(19) 3_665 13_666 ?
Pt1 Al3 Pt1 132.1(5) 4_664 13_666 ?
Gd2 Al3 Al3 30.000(1) 1_545 2_545 ?
Al3 Al3 Al3 180.0(8) 2_655 2_545 ?
Al3 Al3 Al3 120.000(2) 3_665 2_545 ?
Pt1 Al3 Al3 110.57(19) 4_664 2_545 ?
Pt1 Al3 Al3 110.57(19) 13_666 2_545 ?
Gd2 Al3 Al3 30.0 1_545 3_655 ?
Al3 Al3 Al3 120.0 2_655 3_655 ?
Al3 Al3 Al3 180.0(6) 3_665 3_655 ?
Pt1 Al3 Al3 110.57(19) 4_664 3_655 ?
Pt1 Al3 Al3 110.57(19) 13_666 3_655 ?
Al3 Al3 Al3 60.0 2_545 3_655 ?
Gd2 Al3 Al1 85.4(2) 1_545 16_646 ?
Al3 Al3 Al1 71.9(2) 2_655 16_646 ?
Al3 Al3 Al1 116.7(2) 3_665 16_646 ?
Pt1 Al3 Al1 128.52(17) 4_664 16_646 ?
Pt1 Al3 Al1 56.09(7) 13_666 16_646 ?
Al3 Al3 Al1 108.1(2) 2_545 16_646 ?
Al3 Al3 Al1 63.3(2) 3_655 16_646 ?
Gd2 Al3 Al1 85.4(2) 1_545 1_645 ?
Al3 Al3 Al1 71.9(2) 2_655 1_645 ?
Al3 Al3 Al1 116.7(2) 3_665 1_645 ?
Pt1 Al3 Al1 56.09(7) 4_664 1_645 ?
Pt1 Al3 Al1 128.52(17) 13_666 1_645 ?
Al3 Al3 Al1 108.1(2) 2_545 1_645 ?
Al3 Al3 Al1 63.3(2) 3_655 1_645 ?
Al1 Al3 Al1 80.46(15) 16_646 1_645 ?
Gd2 Al3 Al1 85.4(2) 1_545 1_545 ?
Al3 Al3 Al1 116.7(2) 2_655 1_545 ?
Al3 Al3 Al1 71.9(2) 3_665 1_545 ?
Pt1 Al3 Al1 56.09(7) 4_664 1_545 ?
Pt1 Al3 Al1 128.52(17) 13_666 1_545 ?
Al3 Al3 Al1 63.3(2) 2_545 1_545 ?
Al3 Al3 Al1 108.1(2) 3_655 1_545 ?
Al1 Al3 Al1 170.8(4) 16_646 1_545 ?
Al1 Al3 Al1 98.80(15) 1_645 1_545 ?
Gd2 Al3 Al1 85.4(2) 1_545 16_546 ?
Al3 Al3 Al1 116.7(2) 2_655 16_546 ?
Al3 Al3 Al1 71.9(2) 3_665 16_546 ?
Pt1 Al3 Al1 128.52(17) 4_664 16_546 ?
Pt1 Al3 Al1 56.09(7) 13_666 16_546 ?
Al3 Al3 Al1 63.3(2) 2_545 16_546 ?
Al3 Al3 Al1 108.1(2) 3_655 16_546 ?
Al1 Al3 Al1 98.80(15) 16_646 16_546 ?
Al1 Al3 Al1 170.8(4) 1_645 16_546 ?
Al1 Al3 Al1 80.46(15) 1_545 16_546 ?
Gd2 Al3 Gd2 136.38(14) 1_545 1_655 ?
Al3 Al3 Gd2 13.62(14) 2_655 1_655 ?
Al3 Al3 Gd2 73.62(14) 3_665 1_655 ?
Pt1 Al3 Gd2 72.9(2) 4_664 1_655 ?
Pt1 Al3 Gd2 72.9(2) 13_666 1_655 ?
Al3 Al3 Gd2 166.38(14) 2_545 1_655 ?
Al3 Al3 Gd2 106.38(14) 3_655 1_655 ?
Al1 Al3 Gd2 62.23(10) 16_646 1_655 ?
Al1 Al3 Gd2 62.23(10) 1_645 1_655 ?
Al1 Al3 Gd2 125.6(3) 1_545 1_655 ?
Al1 Al3 Gd2 125.6(3) 16_546 1_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 Al3 2.472(4) 13_666 ?
Pt1 Al3 2.472(4) 14_566 ?
Pt1 Al3 2.472(4) 15_556 ?
Pt1 Al1 2.4941(9) 4_575 ?
Pt1 Al1 2.4941(10) 4_675 ?
Pt1 Al1 2.4941(9) 4_565 ?
Pt1 Al2 2.554(5) 16_556 ?
Pt1 Al2 2.651(2) 4_565 ?
Pt1 Al2 2.651(2) 4_675 ?
Pt1 Al2 2.651(2) 4_665 ?
Pt1 Gd2 3.3348(6) 13_676 ?
Pt1 Gd2 3.3348(6) 13_566 ?
Gd2 Al3 1.450(11) 2 ?
Gd2 Al3 1.450(11) 1_565 ?
Gd2 Al3 1.450(11) 3_665 ?
Gd2 Al1 3.046(3) 1_545 ?
Gd2 Al1 3.046(3) . ?
Gd2 Al1 3.046(3) 16_656 ?
Gd2 Al1 3.046(3) 16_556 ?
Gd2 Al1 3.046(3) 1_655 ?
Gd2 Al1 3.046(3) 16_546 ?
Gd2 Al3 3.079(8) 1_455 ?
Gd2 Al3 3.079(8) 3_675 ?
Gd2 Al3 3.079(8) 2_665 ?
Al1 Pt1 2.4941(9) 4_574 ?
Al1 Pt1 2.4941(9) 4_564 ?
Al1 Pt1 2.4941(9) 4_674 ?
Al1 Al3 2.798(3) 3_675 ?
Al1 Al3 2.798(3) 2 ?
Al1 Al3 2.798(3) 1_465 ?
Al1 Al3 2.798(3) 1_565 ?
Al1 Al3 2.798(3) 2_565 ?
Al1 Al3 2.798(3) 3_565 ?
Al1 Al2 2.853(4) 1_455 ?
Al1 Al2 2.853(4) . ?
Al1 Al2 2.853(4) 1_565 ?
Al2 Pt1 2.554(5) 16_556 ?
Al2 Pt1 2.651(2) 4_674 ?
Al2 Pt1 2.651(2) 4_564 ?
Al2 Pt1 2.651(2) 4_664 ?
Al2 Al1 2.853(4) 1_655 ?
Al2 Al1 2.853(4) 1_545 ?
Al2 Al2 2.901(6) 13_565 ?
Al2 Al2 2.901(6) 13_675 ?
Al2 Al2 2.901(6) 13_665 ?
Al3 Gd2 1.450(11) 1_545 ?
Al3 Al3 1.737(19) 2_655 ?
Al3 Al3 1.737(18) 3_665 ?
Al3 Pt1 2.472(4) 4_664 ?
Al3 Pt1 2.472(4) 13_666 ?
Al3 Al3 2.511(19) 2_545 ?
Al3 Al3 2.511(18) 3_655 ?
Al3 Al1 2.798(3) 16_646 ?
Al3 Al1 2.798(3) 1_645 ?
Al3 Al1 2.798(3) 1_545 ?
Al3 Al1 2.798(3) 16_546 ?
Al3 Gd2 3.079(8) 1_655 ?
