#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:52:50 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179267 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/87/4318705.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_4318705
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            'Al7 Gd Pt3 Si'
_chemical_formula_weight         932.49
_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                   4.3280(8)
_cell_length_b                   4.3280(8)
_cell_length_c                   38.621(10)
_cell_measurement_temperature    293(2)
_cell_volume                     626.5(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0613
_diffrn_reflns_av_sigmaI/netI    0.0315
_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       50
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            2083
_diffrn_reflns_theta_full        28.23
_diffrn_reflns_theta_max         28.23
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    19.534
_exptl_crystal_density_diffrn    8.042
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             390
_refine_diff_density_max         5.230
_refine_diff_density_min         -2.239
_refine_diff_density_rms         0.693
_refine_ls_extinction_coef       0.0020(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.170
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     27
_refine_ls_number_reflns         240
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0536P)²+32.2292P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.0913
_reflns_number_gt                217
_reflns_number_total             240
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025623n_2.cif
_cod_data_source_block           sl154c
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               4318705
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 0.0077(5) Uani 1 12 d S . .
Pt2 Pt 0.0000 0.0000 0.12077(2) 0.0087(5) Uani 1 6 d S . .
Gd3 Gd 0.0000 0.0000 0.26938(5) 0.0054(8) Uani 0.624(7) 6 d SP . .
Al1 Al 0.0000 0.0000 0.4438(2) 0.0109(18) Uani 1 6 d S . .
Al2 Al 0.0000 0.0000 0.3511(2) 0.0088(16) Uani 1 6 d S . .
Al3 Al 0.0000 0.0000 0.1864(2) 0.0114(18) Uani 1 6 d S . .
Si4 Si 0.540(2) 0.460(2) 0.3947(3) 0.008(5) Uani 0.29(2) 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'
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
Si4 Pt1 Si4 180.0(2) 25 13_444 ?
Si4 Pt1 Si4 37.5(6) 25 27_445 ?
Si4 Pt1 Si4 142.5(6) 13_444 27_445 ?
Si4 Pt1 Si4 142.5(6) 25 15_554 ?
Si4 Pt1 Si4 37.5(6) 13_444 15_554 ?
Si4 Pt1 Si4 180.0(11) 27_445 15_554 ?
Si4 Pt1 Si4 37.5(6) 25 26_455 ?
Si4 Pt1 Si4 142.5(6) 13_444 26_455 ?
Si4 Pt1 Si4 37.5(6) 27_445 26_455 ?
Si4 Pt1 Si4 142.5(6) 15_554 26_455 ?
Si4 Pt1 Si4 142.5(6) 25 14_544 ?
Si4 Pt1 Si4 37.5(6) 13_444 14_544 ?
Si4 Pt1 Si4 142.5(6) 27_445 14_544 ?
Si4 Pt1 Si4 37.5(6) 15_554 14_544 ?
Si4 Pt1 Si4 180.0(11) 26_455 14_544 ?
Si4 Pt1 Al2 64.9(2) 25 25_445 ?
Si4 Pt1 Al2 115.1(2) 13_444 25_445 ?
Si4 Pt1 Al2 64.9(2) 27_445 25_445 ?
Si4 Pt1 Al2 115.1(2) 15_554 25_445 ?
Si4 Pt1 Al2 96.5(4) 26_455 25_445 ?
Si4 Pt1 Al2 83.5(4) 14_544 25_445 ?
Si4 Pt1 Al2 115.1(2) 25 13_554 ?
Si4 Pt1 Al2 64.9(2) 13_444 13_554 ?
Si4 Pt1 Al2 115.1(2) 27_445 13_554 ?
Si4 Pt1 Al2 64.9(2) 15_554 13_554 ?
Si4 Pt1 Al2 83.5(4) 26_455 13_554 ?
Si4 Pt1 Al2 96.5(4) 14_544 13_554 ?
Al2 Pt1 Al2 180.0(4) 25_445 13_554 ?
Si4 Pt1 Al2 64.9(2) 25 25 ?
Si4 Pt1 Al2 115.1(2) 13_444 25 ?
Si4 Pt1 Al2 96.5(4) 27_445 25 ?
Si4 Pt1 Al2 83.5(4) 15_554 25 ?
Si4 Pt1 Al2 64.9(2) 26_455 25 ?
Si4 Pt1 Al2 115.1(2) 14_544 25 ?
Al2 Pt1 Al2 113.29(15) 25_445 25 ?
Al2 Pt1 Al2 66.71(15) 13_554 25 ?
Si4 Pt1 Al2 115.1(2) 25 13_444 ?
Si4 Pt1 Al2 64.9(2) 13_444 13_444 ?
Si4 Pt1 Al2 83.5(4) 27_445 13_444 ?
Si4 Pt1 Al2 96.5(4) 15_554 13_444 ?
Si4 Pt1 Al2 115.1(2) 26_455 13_444 ?
Si4 Pt1 Al2 64.9(2) 14_544 13_444 ?
Al2 Pt1 Al2 66.71(15) 25_445 13_444 ?
Al2 Pt1 Al2 113.29(15) 13_554 13_444 ?
Al2 Pt1 Al2 180.0(4) 25 13_444 ?
Si4 Pt1 Al2 83.5(4) 25 13_544 ?
Si4 Pt1 Al2 96.5(4) 13_444 13_544 ?
Si4 Pt1 Al2 115.1(2) 27_445 13_544 ?
Si4 Pt1 Al2 64.9(2) 15_554 13_544 ?
Si4 Pt1 Al2 115.1(2) 26_455 13_544 ?
Si4 Pt1 Al2 64.9(2) 14_544 13_544 ?
Al2 Pt1 Al2 66.71(15) 25_445 13_544 ?
Al2 Pt1 Al2 113.29(15) 13_554 13_544 ?
Al2 Pt1 Al2 66.71(15) 25 13_544 ?
Al2 Pt1 Al2 113.29(15) 13_444 13_544 ?
Si4 Pt1 Al2 96.5(4) 25 25_455 ?
Si4 Pt1 Al2 83.5(4) 13_444 25_455 ?
Si4 Pt1 Al2 64.9(2) 27_445 25_455 ?
Si4 Pt1 Al2 115.1(2) 15_554 25_455 ?
Si4 Pt1 Al2 64.9(2) 26_455 25_455 ?
Si4 Pt1 Al2 115.1(2) 14_544 25_455 ?
Al2 Pt1 Al2 113.29(15) 25_445 25_455 ?
Al2 Pt1 Al2 66.71(15) 13_554 25_455 ?
Al2 Pt1 Al2 113.29(15) 25 25_455 ?
Al2 Pt1 Al2 66.71(15) 13_444 25_455 ?
Al2 Pt1 Al2 180.0(4) 13_544 25_455 ?
Si4 Pt2 Si4 38.6(6) 13_444 14_544 ?
Si4 Pt2 Si4 38.6(6) 13_444 15_554 ?
Si4 Pt2 Si4 38.6(6) 14_544 15_554 ?
Si4 Pt2 Al1 70.5(2) 13_444 13_444 ?
Si4 Pt2 Al1 70.5(2) 14_544 13_444 ?
Si4 Pt2 Al1 103.4(4) 15_554 13_444 ?
Si4 Pt2 Al1 70.5(2) 13_444 13_554 ?
Si4 Pt2 Al1 103.4(4) 14_544 13_554 ?
Si4 Pt2 Al1 70.5(2) 15_554 13_554 ?
Al1 Pt2 Al1 117.56(10) 13_444 13_554 ?
Si4 Pt2 Al1 103.4(4) 13_444 13_544 ?
Si4 Pt2 Al1 70.5(2) 14_544 13_544 ?
Si4 Pt2 Al1 70.5(2) 15_554 13_544 ?
Al1 Pt2 Al1 117.56(10) 13_444 13_544 ?
Al1 Pt2 Al1 117.56(10) 13_554 13_544 ?
Si4 Pt2 Al3 157.6(3) 13_444 . ?
Si4 Pt2 Al3 157.6(3) 14_544 . ?
Si4 Pt2 Al3 157.6(3) 15_554 . ?
Al1 Pt2 Al3 99.1(2) 13_444 . ?
Al1 Pt2 Al3 99.1(2) 13_554 . ?
Al1 Pt2 Al3 99.1(2) 13_544 . ?
Si4 Pt2 Al3 121.59(18) 13_444 25 ?
Si4 Pt2 Al3 121.59(18) 14_544 25 ?
Si4 Pt2 Al3 89.6(4) 15_554 25 ?
Al1 Pt2 Al3 167.0(3) 13_444 25 ?
Al1 Pt2 Al3 66.52(11) 13_554 25 ?
Al1 Pt2 Al3 66.52(11) 13_544 25 ?
Al3 Pt2 Al3 67.95(16) . 25 ?
Si4 Pt2 Al3 121.59(18) 13_444 25_445 ?
Si4 Pt2 Al3 89.6(4) 14_544 25_445 ?
Si4 Pt2 Al3 121.59(18) 15_554 25_445 ?
Al1 Pt2 Al3 66.52(11) 13_444 25_445 ?
Al1 Pt2 Al3 167.0(3) 13_554 25_445 ?
Al1 Pt2 Al3 66.52(11) 13_544 25_445 ?
Al3 Pt2 Al3 67.95(16) . 25_445 ?
Al3 Pt2 Al3 106.77(18) 25 25_445 ?
Si4 Pt2 Al3 89.6(4) 13_444 25_455 ?
Si4 Pt2 Al3 121.59(18) 14_544 25_455 ?
Si4 Pt2 Al3 121.59(18) 15_554 25_455 ?
Al1 Pt2 Al3 66.52(11) 13_444 25_455 ?
Al1 Pt2 Al3 66.52(11) 13_554 25_455 ?
Al1 Pt2 Al3 167.0(3) 13_544 25_455 ?
Al3 Pt2 Al3 67.95(16) . 25_455 ?
Al3 Pt2 Al3 106.77(18) 25 25_455 ?
Al3 Pt2 Al3 106.77(18) 25_445 25_455 ?
Si4 Pt2 Gd3 62.2(2) 13_444 25_445 ?
Si4 Pt2 Gd3 26.3(3) 14_544 25_445 ?
Si4 Pt2 Gd3 62.2(2) 15_554 25_445 ?
Al1 Pt2 Gd3 61.63(13) 13_444 25_445 ?
Al1 Pt2 Gd3 129.6(2) 13_554 25_445 ?
Al1 Pt2 Gd3 61.63(13) 13_544 25_445 ?
Al3 Pt2 Gd3 131.28(3) . 25_445 ?
Al3 Pt2 Gd3 126.58(10) 25 25_445 ?
Al3 Pt2 Gd3 63.34(16) 25_445 25_445 ?
Al3 Pt2 Gd3 126.58(10) 25_455 25_445 ?
Si4 Pt2 Gd3 62.2(2) 13_444 25 ?
Si4 Pt2 Gd3 62.2(2) 14_544 25 ?
Si4 Pt2 Gd3 26.3(3) 15_554 25 ?
Al1 Pt2 Gd3 129.6(2) 13_444 25 ?
Al1 Pt2 Gd3 61.63(13) 13_554 25 ?
Al1 Pt2 Gd3 61.63(13) 13_544 25 ?
Al3 Pt2 Gd3 131.28(3) . 25 ?
Al3 Pt2 Gd3 63.34(16) 25 25 ?
Al3 Pt2 Gd3 126.58(10) 25_445 25 ?
Al3 Pt2 Gd3 126.58(10) 25_455 25 ?
Gd3 Pt2 Gd3 81.20(4) 25_445 25 ?
Si4 Gd3 Si4 119.58(11) 31 33_545 ?
Si4 Gd3 Si4 119.58(11) 31 32_445 ?
Si4 Gd3 Si4 119.58(11) 33_545 32_445 ?
Si4 Gd3 Al2 63.7(3) 31 31 ?
Si4 Gd3 Al2 63.7(3) 33_545 31 ?
Si4 Gd3 Al2 140.7(5) 32_445 31 ?
Si4 Gd3 Al2 63.7(3) 31 31_445 ?
Si4 Gd3 Al2 140.7(5) 33_545 31_445 ?
Si4 Gd3 Al2 63.7(3) 32_445 31_445 ?
Al2 Gd3 Al2 89.60(18) 31 31_445 ?
Si4 Gd3 Al2 140.7(5) 31 31_545 ?
Si4 Gd3 Al2 63.7(3) 33_545 31_545 ?
Si4 Gd3 Al2 63.7(3) 32_445 31_545 ?
Al2 Gd3 Al2 89.60(18) 31 31_545 ?
Al2 Gd3 Al2 89.60(18) 31_445 31_545 ?
Si4 Gd3 Al1 68.4(3) 31 31_445 ?
Si4 Gd3 Al1 148.0(5) 33_545 31_445 ?
Si4 Gd3 Al1 68.4(3) 32_445 31_445 ?
Al2 Gd3 Al1 132.04(6) 31 31_445 ?
Al2 Gd3 Al1 71.24(18) 31_445 31_445 ?
Al2 Gd3 Al1 132.04(6) 31_545 31_445 ?
Si4 Gd3 Al1 68.4(3) 31 31 ?
Si4 Gd3 Al1 68.4(3) 33_545 31 ?
Si4 Gd3 Al1 148.0(5) 32_445 31 ?
Al2 Gd3 Al1 71.24(18) 31 31 ?
Al2 Gd3 Al1 132.04(6) 31_445 31 ?
Al2 Gd3 Al1 132.04(6) 31_545 31 ?
Al1 Gd3 Al1 89.39(19) 31_445 31 ?
Si4 Gd3 Al1 148.0(5) 31 31_545 ?
Si4 Gd3 Al1 68.4(3) 33_545 31_545 ?
Si4 Gd3 Al1 68.4(3) 32_445 31_545 ?
Al2 Gd3 Al1 132.04(6) 31 31_545 ?
Al2 Gd3 Al1 132.04(6) 31_445 31_545 ?
Al2 Gd3 Al1 71.24(18) 31_545 31_545 ?
Al1 Gd3 Al1 89.4(2) 31_445 31_545 ?
Al1 Gd3 Al1 89.39(19) 31 31_545 ?
Si4 Gd3 Si4 15.5(2) 31 32_455 ?
Si4 Gd3 Si4 104.4(2) 33_545 32_455 ?
Si4 Gd3 Si4 135.1(2) 32_445 32_455 ?
Al2 Gd3 Si4 53.2(2) 31 32_455 ?
Al2 Gd3 Si4 77.1(2) 31_445 32_455 ?
Al2 Gd3 Si4 139.9(3) 31_545 32_455 ?
Al1 Gd3 Si4 79.3(2) 31_445 32_455 ?
Al1 Gd3 Si4 56.0(2) 31 32_455 ?
Al1 Gd3 Si4 143.3(3) 31_545 32_455 ?
Si4 Gd3 Si4 15.5(2) 31 33_445 ?
Si4 Gd3 Si4 135.1(2) 33_545 33_445 ?
Si4 Gd3 Si4 104.4(2) 32_445 33_445 ?
Al2 Gd3 Si4 77.1(2) 31 33_445 ?
Al2 Gd3 Si4 53.2(2) 31_445 33_445 ?
Al2 Gd3 Si4 139.9(3) 31_545 33_445 ?
Al1 Gd3 Si4 56.0(2) 31_445 33_445 ?
Al1 Gd3 Si4 79.3(2) 31 33_445 ?
Al1 Gd3 Si4 143.3(3) 31_545 33_445 ?
Si4 Gd3 Si4 30.9(4) 32_455 33_445 ?
Si4 Gd3 Si4 104.4(2) 31 33_435 ?
Si4 Gd3 Si4 135.1(2) 33_545 33_435 ?
Si4 Gd3 Si4 15.5(2) 32_445 33_435 ?
Al2 Gd3 Si4 139.9(3) 31 33_435 ?
Al2 Gd3 Si4 53.2(2) 31_445 33_435 ?
Al2 Gd3 Si4 77.1(2) 31_545 33_435 ?
Al1 Gd3 Si4 56.0(2) 31_445 33_435 ?
Al1 Gd3 Si4 143.3(3) 31 33_435 ?
Al1 Gd3 Si4 79.3(2) 31_545 33_435 ?
Si4 Gd3 Si4 119.89(3) 32_455 33_435 ?
Si4 Gd3 Si4 89.1(4) 33_445 33_435 ?
Pt2 Al1 Pt2 117.56(11) 7 7_445 ?
Pt2 Al1 Pt2 117.56(11) 7 7_455 ?
Pt2 Al1 Pt2 117.56(11) 7_445 7_455 ?
Pt2 Al1 Al3 59.50(8) 7 31 ?
Pt2 Al1 Al3 141.5(4) 7_445 31 ?
Pt2 Al1 Al3 59.50(8) 7_455 31 ?
Pt2 Al1 Al3 141.5(4) 7 31_445 ?
Pt2 Al1 Al3 59.50(8) 7_445 31_445 ?
Pt2 Al1 Al3 59.50(8) 7_455 31_445 ?
Al3 Al1 Al3 97.9(3) 31 31_445 ?
Pt2 Al1 Al3 59.50(8) 7 31_545 ?
Pt2 Al1 Al3 59.50(8) 7_445 31_545 ?
Pt2 Al1 Al3 141.5(4) 7_455 31_545 ?
Al3 Al1 Al3 97.9(3) 31 31_545 ?
Al3 Al1 Al3 97.9(3) 31_445 31_545 ?
Pt2 Al1 Si4 133.8(3) 7 1_445 ?
Pt2 Al1 Si4 54.0(3) 7_445 1_445 ?
Pt2 Al1 Si4 101.9(3) 7_455 1_445 ?
Al3 Al1 Si4 158.7(3) 31 1_445 ?
Al3 Al1 Si4 78.7(3) 31_445 1_445 ?
Al3 Al1 Si4 103.4(3) 31_545 1_445 ?
Pt2 Al1 Si4 101.9(3) 7 3 ?
Pt2 Al1 Si4 54.0(3) 7_445 3 ?
Pt2 Al1 Si4 133.8(3) 7_455 3 ?
Al3 Al1 Si4 158.7(4) 31 3 ?
Al3 Al1 Si4 103.4(3) 31_445 3 ?
Al3 Al1 Si4 78.7(2) 31_545 3 ?
Si4 Al1 Si4 33.0(6) 1_445 3 ?
Pt2 Al1 Si4 133.8(3) 7 2 ?
Pt2 Al1 Si4 101.9(3) 7_445 2 ?
Pt2 Al1 Si4 54.0(3) 7_455 2 ?
Al3 Al1 Si4 103.4(3) 31 2 ?
Al3 Al1 Si4 78.7(3) 31_445 2 ?
Al3 Al1 Si4 158.7(3) 31_545 2 ?
Si4 Al1 Si4 55.3(6) 1_445 2 ?
Si4 Al1 Si4 81.7(4) 3 2 ?
Pt2 Al1 Si4 101.9(3) 7 3_565 ?
Pt2 Al1 Si4 133.8(3) 7_445 3_565 ?
Pt2 Al1 Si4 54.0(3) 7_455 3_565 ?
Al3 Al1 Si4 78.7(3) 31 3_565 ?
Al3 Al1 Si4 103.4(3) 31_445 3_565 ?
Al3 Al1 Si4 158.7(3) 31_545 3_565 ?
Si4 Al1 Si4 81.7(4) 1_445 3_565 ?
Si4 Al1 Si4 96.8(5) 3 3_565 ?
Si4 Al1 Si4 33.0(6) 2 3_565 ?
Pt2 Al1 Si4 54.0(3) 7 2_655 ?
Pt2 Al1 Si4 101.9(3) 7_445 2_655 ?
Pt2 Al1 Si4 133.8(3) 7_455 2_655 ?
Al3 Al1 Si4 103.4(3) 31 2_655 ?
Al3 Al1 Si4 158.7(4) 31_445 2_655 ?
Al3 Al1 Si4 78.7(2) 31_545 2_655 ?
Si4 Al1 Si4 81.7(4) 1_445 2_655 ?
Si4 Al1 Si4 55.3(6) 3 2_655 ?
Si4 Al1 Si4 96.8(5) 2 2_655 ?
Si4 Al1 Si4 81.7(4) 3_565 2_655 ?
Pt2 Al1 Si4 54.0(3) 7 . ?
Pt2 Al1 Si4 133.8(3) 7_445 . ?
Pt2 Al1 Si4 101.9(3) 7_455 . ?
Al3 Al1 Si4 78.7(3) 31 . ?
Al3 Al1 Si4 158.7(3) 31_445 . ?
Al3 Al1 Si4 103.4(3) 31_545 . ?
Si4 Al1 Si4 96.8(5) 1_445 . ?
Si4 Al1 Si4 81.7(4) 3 . ?
Si4 Al1 Si4 81.7(4) 2 . ?
Si4 Al1 Si4 55.3(6) 3_565 . ?
Si4 Al1 Si4 33.0(6) 2_655 . ?
Pt1 Al2 Pt1 113.29(15) 7_445 7 ?
Pt1 Al2 Pt1 113.29(15) 7_445 7_455 ?
Pt1 Al2 Pt1 113.29(15) 7 7_455 ?
Pt1 Al2 Si4 139.8(3) 7_445 . ?
Pt1 Al2 Si4 56.9(2) 7 . ?
Pt1 Al2 Si4 105.5(3) 7_455 . ?
Pt1 Al2 Si4 105.5(3) 7_445 2_655 ?
Pt1 Al2 Si4 56.9(2) 7 2_655 ?
Pt1 Al2 Si4 139.8(3) 7_455 2_655 ?
Si4 Al2 Si4 34.6(6) . 2_655 ?
Pt1 Al2 Si4 139.8(3) 7_445 3_565 ?
Pt1 Al2 Si4 105.5(3) 7 3_565 ?
Pt1 Al2 Si4 56.9(2) 7_455 3_565 ?
Si4 Al2 Si4 58.3(6) . 3_565 ?
Si4 Al2 Si4 86.6(4) 2_655 3_565 ?
Pt1 Al2 Si4 56.9(2) 7_445 1_445 ?
Pt1 Al2 Si4 139.8(3) 7 1_445 ?
Pt1 Al2 Si4 105.5(3) 7_455 1_445 ?
Si4 Al2 Si4 103.3(5) . 1_445 ?
Si4 Al2 Si4 86.6(4) 2_655 1_445 ?
Si4 Al2 Si4 86.6(4) 3_565 1_445 ?
Pt1 Al2 Si4 105.5(3) 7_445 2 ?
Pt1 Al2 Si4 139.8(3) 7 2 ?
Pt1 Al2 Si4 56.9(2) 7_455 2 ?
Si4 Al2 Si4 86.6(4) . 2 ?
Si4 Al2 Si4 103.3(5) 2_655 2 ?
Si4 Al2 Si4 34.6(6) 3_565 2 ?
Si4 Al2 Si4 58.3(6) 1_445 2 ?
Pt1 Al2 Si4 56.9(2) 7_445 3 ?
Pt1 Al2 Si4 105.5(3) 7 3 ?
Pt1 Al2 Si4 139.8(3) 7_455 3 ?
Si4 Al2 Si4 86.6(4) . 3 ?
Si4 Al2 Si4 58.3(6) 2_655 3 ?
Si4 Al2 Si4 103.3(5) 3_565 3 ?
Si4 Al2 Si4 34.6(6) 1_445 3 ?
Si4 Al2 Si4 86.6(4) 2 3 ?
Pt1 Al2 Al2 56.64(7) 7_445 31_445 ?
Pt1 Al2 Al2 136.0(5) 7 31_445 ?
Pt1 Al2 Al2 56.65(7) 7_455 31_445 ?
Si4 Al2 Al2 159.6(4) . 31_445 ?
Si4 Al2 Al2 159.6(4) 2_655 31_445 ?
Si4 Al2 Al2 101.4(3) 3_565 31_445 ?
Si4 Al2 Al2 75.3(3) 1_445 31_445 ?
Si4 Al2 Al2 75.3(3) 2 31_445 ?
Si4 Al2 Al2 101.4(3) 3 31_445 ?
Pt1 Al2 Al2 136.0(5) 7_445 31 ?
Pt1 Al2 Al2 56.64(7) 7 31 ?
Pt1 Al2 Al2 56.65(7) 7_455 31 ?
Si4 Al2 Al2 75.3(3) . 31 ?
Si4 Al2 Al2 101.4(3) 2_655 31 ?
Si4 Al2 Al2 75.3(3) 3_565 31 ?
Si4 Al2 Al2 159.6(4) 1_445 31 ?
Si4 Al2 Al2 101.4(3) 2 31 ?
Si4 Al2 Al2 159.6(4) 3 31 ?
Al2 Al2 Al2 98.8(4) 31_445 31 ?
Pt1 Al2 Al2 56.65(7) 7_445 31_545 ?
Pt1 Al2 Al2 56.65(7) 7 31_545 ?
Pt1 Al2 Al2 136.0(5) 7_455 31_545 ?
Si4 Al2 Al2 101.4(3) . 31_545 ?
Si4 Al2 Al2 75.3(3) 2_655 31_545 ?
Si4 Al2 Al2 159.6(4) 3_565 31_545 ?
Si4 Al2 Al2 101.4(3) 1_445 31_545 ?
Si4 Al2 Al2 159.6(4) 2 31_545 ?
Si4 Al2 Al2 75.3(3) 3 31_545 ?
Al2 Al2 Al2 98.8(4) 31_445 31_545 ?
Al2 Al2 Al2 98.8(4) 31 31_545 ?
Pt2 Al3 Pt2 112.05(16) . 25 ?
Pt2 Al3 Pt2 112.05(16) . 25_445 ?
Pt2 Al3 Pt2 106.78(18) 25 25_445 ?
Pt2 Al3 Pt2 112.05(16) . 25_455 ?
Pt2 Al3 Pt2 106.78(18) 25 25_455 ?
Pt2 Al3 Pt2 106.78(18) 25_445 25_455 ?
Pt2 Al3 Al1 119.5(2) . 31 ?
Pt2 Al3 Al1 53.98(8) 25 31 ?
Pt2 Al3 Al1 128.5(3) 25_445 31 ?
Pt2 Al3 Al1 53.98(8) 25_455 31 ?
Pt2 Al3 Al1 119.5(2) . 31_445 ?
Pt2 Al3 Al1 128.5(3) 25 31_445 ?
Pt2 Al3 Al1 53.98(8) 25_445 31_445 ?
Pt2 Al3 Al1 53.98(8) 25_455 31_445 ?
Al1 Al3 Al1 97.9(3) 31 31_445 ?
Pt2 Al3 Al1 119.5(2) . 31_545 ?
Pt2 Al3 Al1 53.98(8) 25 31_545 ?
Pt2 Al3 Al1 53.98(8) 25_445 31_545 ?
Pt2 Al3 Al1 128.5(3) 25_455 31_545 ?
Al1 Al3 Al1 97.9(3) 31 31_545 ?
Al1 Al3 Al1 97.9(3) 31_445 31_545 ?
Pt2 Al3 Al3 58.7(3) . 25_445 ?
Pt2 Al3 Al3 126.23(4) 25 25_445 ?
Pt2 Al3 Al3 53.38(11) 25_445 25_445 ?
Pt2 Al3 Al3 126.23(4) 25_455 25_445 ?
Al1 Al3 Al3 178.1(4) 31 25_445 ?
Al1 Al3 Al3 83.33(13) 31_445 25_445 ?
Al1 Al3 Al3 83.33(13) 31_545 25_445 ?
Pt2 Al3 Al3 58.7(3) . 25 ?
Pt2 Al3 Al3 53.38(11) 25 25 ?
Pt2 Al3 Al3 126.23(4) 25_445 25 ?
Pt2 Al3 Al3 126.23(4) 25_455 25 ?
Al1 Al3 Al3 83.33(14) 31 25 ?
Al1 Al3 Al3 178.1(4) 31_445 25 ?
Al1 Al3 Al3 83.33(14) 31_545 25 ?
Al3 Al3 Al3 95.4(4) 25_445 25 ?
Pt2 Al3 Al3 58.7(3) . 25_455 ?
Pt2 Al3 Al3 126.23(4) 25 25_455 ?
Pt2 Al3 Al3 126.23(4) 25_445 25_455 ?
Pt2 Al3 Al3 53.38(11) 25_455 25_455 ?
Al1 Al3 Al3 83.33(13) 31 25_455 ?
Al1 Al3 Al3 83.33(13) 31_445 25_455 ?
Al1 Al3 Al3 178.1(4) 31_545 25_455 ?
Al3 Al3 Al3 95.4(4) 25_445 25_455 ?
Al3 Al3 Al3 95.4(4) 25 25_455 ?
Pt2 Al3 Gd3 180.0 . . ?
Pt2 Al3 Gd3 67.95(16) 25 . ?
Pt2 Al3 Gd3 67.95(16) 25_445 . ?
Pt2 Al3 Gd3 67.95(16) 25_455 . ?
Al1 Al3 Gd3 60.5(2) 31 . ?
Al1 Al3 Gd3 60.5(2) 31_445 . ?
Al1 Al3 Gd3 60.5(2) 31_545 . ?
Al3 Al3 Gd3 121.3(3) 25_445 . ?
Al3 Al3 Gd3 121.3(3) 25 . ?
Al3 Al3 Gd3 121.3(3) 25_455 . ?
Gd3 Si4 Si4 149.79(8) 31 3_665 ?
Gd3 Si4 Si4 149.79(8) 31 2_655 ?
Si4 Si4 Si4 60.000(18) 3_665 2_655 ?
Gd3 Si4 Pt2 108.7(6) 31 7 ?
Si4 Si4 Pt2 70.7(3) 3_665 7 ?
Si4 Si4 Pt2 70.7(3) 2_655 7 ?
Gd3 Si4 Pt1 115.5(7) 31 7 ?
Si4 Si4 Pt1 71.2(3) 3_665 7 ?
Si4 Si4 Pt1 71.2(3) 2_655 7 ?
Pt2 Si4 Pt1 135.8(6) 7 7 ?
Gd3 Si4 Si4 30.21(6) 31 3_565 ?
Si4 Si4 Si4 179.998(9) 3_665 3_565 ?
Si4 Si4 Si4 120.000(13) 2_655 3_565 ?
Pt2 Si4 Si4 109.3(3) 7 3_565 ?
Pt1 Si4 Si4 108.8(3) 7 3_565 ?
Gd3 Si4 Si4 30.21(6) 31 2_665 ?
Si4 Si4 Si4 120.000(14) 3_665 2_665 ?
Si4 Si4 Si4 179.998(12) 2_655 2_665 ?
Pt2 Si4 Si4 109.3(3) 7 2_665 ?
Pt1 Si4 Si4 108.8(3) 7 2_665 ?
Si4 Si4 Si4 60.000(14) 3_565 2_665 ?
Gd3 Si4 Al2 86.0(4) 31 1_665 ?
Si4 Si4 Al2 72.7(3) 3_665 1_665 ?
Si4 Si4 Al2 119.1(3) 2_655 1_665 ?
Pt2 Si4 Al2 127.3(3) 7 1_665 ?
Pt1 Si4 Al2 58.2(3) 7 1_665 ?
Si4 Si4 Al2 107.3(3) 3_565 1_665 ?
Si4 Si4 Al2 60.9(3) 2_665 1_665 ?
Gd3 Si4 Al2 86.0(4) 31 . ?
Si4 Si4 Al2 119.1(3) 3_665 . ?
Si4 Si4 Al2 72.7(3) 2_655 . ?
Pt2 Si4 Al2 127.3(3) 7 . ?
Pt1 Si4 Al2 58.2(3) 7 . ?
Si4 Si4 Al2 60.9(3) 3_565 . ?
Si4 Si4 Al2 107.3(3) 2_665 . ?
Al2 Si4 Al2 103.3(5) 1_665 . ?
Gd3 Si4 Al1 81.6(4) 31 . ?
Si4 Si4 Al1 117.7(3) 3_665 . ?
Si4 Si4 Al1 73.5(3) 2_655 . ?
Pt2 Si4 Al1 55.5(3) 7 . ?
Pt1 Si4 Al1 130.3(3) 7 . ?
Si4 Si4 Al1 62.3(3) 3_565 . ?
Si4 Si4 Al1 106.5(3) 2_665 . ?
Al2 Si4 Al1 167.3(6) 1_665 . ?
Al2 Si4 Al1 78.6(2) . . ?
Gd3 Si4 Al1 81.6(4) 31 1_665 ?
Si4 Si4 Al1 73.5(3) 3_665 1_665 ?
Si4 Si4 Al1 117.7(3) 2_655 1_665 ?
Pt2 Si4 Al1 55.5(3) 7 1_665 ?
Pt1 Si4 Al1 130.3(3) 7 1_665 ?
Si4 Si4 Al1 106.5(3) 3_565 1_665 ?
Si4 Si4 Al1 62.3(3) 2_665 1_665 ?
Al2 Si4 Al1 78.6(2) 1_665 1_665 ?
Al2 Si4 Al1 167.3(6) . 1_665 ?
Al1 Si4 Al1 96.8(5) . 1_665 ?
Gd3 Si4 Gd3 135.1(2) 31 31_655 ?
Si4 Si4 Gd3 14.7(2) 3_665 31_655 ?
Si4 Si4 Gd3 74.57(17) 2_655 31_655 ?
Pt2 Si4 Gd3 72.4(3) 7 31_655 ?
Pt1 Si4 Gd3 76.5(3) 7 31_655 ?
Si4 Si4 Gd3 165.32(18) 3_565 31_655 ?
Si4 Si4 Gd3 105.4(2) 2_665 31_655 ?
Al2 Si4 Gd3 63.11(16) 1_665 31_655 ?
Al2 Si4 Gd3 130.4(5) . 31_655 ?
Al1 Si4 Gd3 125.3(5) . 31_655 ?
Al1 Si4 Gd3 61.85(17) 1_665 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 Si4 2.552(13) 25 ?
Pt1 Si4 2.552(13) 13_444 ?
Pt1 Si4 2.552(13) 27_445 ?
Pt1 Si4 2.552(13) 15_554 ?
Pt1 Si4 2.552(13) 26_455 ?
Pt1 Si4 2.552(13) 14_544 ?
Pt1 Al2 2.591(2) 25_445 ?
Pt1 Al2 2.591(2) 13_554 ?
Pt1 Al2 2.591(2) 25 ?
Pt1 Al2 2.591(2) 13_444 ?
Pt1 Al2 2.591(2) 13_544 ?
Pt1 Al2 2.591(2) 25_455 ?
Pt2 Si4 2.483(14) 13_444 ?
Pt2 Si4 2.483(14) 14_544 ?
Pt2 Si4 2.483(14) 15_554 ?
Pt2 Al1 2.5305(15) 13_444 ?
Pt2 Al1 2.5305(15) 13_554 ?
Pt2 Al1 2.5305(15) 13_544 ?
Pt2 Al3 2.534(8) . ?
Pt2 Al3 2.696(3) 25 ?
Pt2 Al3 2.696(3) 25_445 ?
Pt2 Al3 2.696(3) 25_455 ?
Pt2 Gd3 3.3253(14) 25_445 ?
Pt2 Gd3 3.3253(14) 25 ?
Gd3 Si4 1.554(15) 31 ?
Gd3 Si4 1.554(15) 33_545 ?
Gd3 Si4 1.554(15) 32_445 ?
Gd3 Al2 3.071(5) 31 ?
Gd3 Al2 3.071(5) 31_445 ?
Gd3 Al2 3.071(5) 31_545 ?
Gd3 Al1 3.077(5) 31_445 ?
Gd3 Al1 3.077(5) 31 ?
Gd3 Al1 3.077(5) 31_545 ?
Gd3 Si4 3.085(11) 32_455 ?
Gd3 Si4 3.085(11) 33_445 ?
Gd3 Si4 3.085(11) 33_435 ?
Al1 Pt2 2.5305(15) 7 ?
Al1 Pt2 2.5305(15) 7_445 ?
Al1 Pt2 2.5305(15) 7_455 ?
Al1 Al3 2.870(6) 31 ?
Al1 Al3 2.870(6) 31_445 ?
Al1 Al3 2.870(6) 31_545 ?
Al1 Si4 2.893(10) 1_445 ?
Al1 Si4 2.893(10) 3 ?
Al1 Si4 2.893(10) 2 ?
Al1 Si4 2.893(10) 3_565 ?
Al1 Si4 2.893(10) 2_655 ?
Al1 Si4 2.893(10) . ?
Al2 Pt1 2.591(2) 7_445 ?
Al2 Pt1 2.591(2) 7 ?
Al2 Pt1 2.591(2) 7_455 ?
Al2 Si4 2.759(10) . ?
Al2 Si4 2.759(10) 2_655 ?
Al2 Si4 2.759(10) 3_565 ?
Al2 Si4 2.759(10) 1_445 ?
Al2 Si4 2.759(10) 2 ?
Al2 Si4 2.759(10) 3 ?
Al2 Al2 2.849(8) 31_445 ?
Al2 Al2 2.849(8) 31 ?
Al2 Al2 2.849(8) 31_545 ?
Al3 Pt2 2.696(3) 25 ?
Al3 Pt2 2.696(3) 25_445 ?
Al3 Pt2 2.696(3) 25_455 ?
Al3 Al1 2.870(6) 31 ?
Al3 Al1 2.870(6) 31_445 ?
Al3 Al1 2.870(6) 31_545 ?
Al3 Al3 2.926(8) 25_445 ?
Al3 Al3 2.926(8) 25 ?
Al3 Al3 2.926(8) 25_455 ?
Si4 Gd3 1.554(15) 31 ?
Si4 Si4 1.64(3) 3_665 ?
Si4 Si4 1.64(3) 2_655 ?
Si4 Pt2 2.483(14) 7 ?
Si4 Pt1 2.551(13) 7 ?
Si4 Si4 2.69(3) 3_565 ?
Si4 Si4 2.69(3) 2_665 ?
Si4 Al2 2.759(10) 1_665 ?
Si4 Al1 2.893(10) 1_665 ?
Si4 Gd3 3.086(11) 31_655 ?
