#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/18/4001816.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_4001816
loop_
_publ_author_name
'Ma, Xiaowei'
'Whalen, Jeffrey B.'
'Cao, Huibo'
'Latturner, Susan E.'
_publ_section_title
;
 Competing Phases, Complex Structure, and Complementary Diffraction
 Studies of R3-\dFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si
 or Ge;x< 0.5)
;
_journal_issue                   16
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3363
_journal_paper_doi               10.1021/cm401976s
_journal_volume                  25
_journal_year                    2013
_chemical_formula_sum            'Al3.75 Dy3 Fe Mg0.25 Si2'
_chemical_formula_weight         706.78
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_atom_sites_solution_hydrogens   none
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.527(4)
_cell_length_b                   13.527(4)
_cell_length_c                   4.1422(12)
_cell_measurement_temperature    298(2)
_cell_volume                     757.9(4)
_computing_cell_refinement       'Saint (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'Saint (Bruker, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD area-detector'
_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  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0157
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            8116
_diffrn_reflns_theta_full        28.01
_diffrn_reflns_theta_max         28.01
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    31.774
_exptl_absorpt_correction_T_max  0.530
_exptl_absorpt_correction_T_min  0.331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    6.194
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1215
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.980
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.169
_refine_ls_extinction_coef       0.00130(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     40
_refine_ls_number_reflns         550
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0155
_refine_ls_R_factor_gt           0.0131
_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)+(0.0077P)²+1.0129P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0220
_refine_ls_wR_factor_ref         0.0223
_reflns_number_gt                511
_reflns_number_total             550
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm401976s_si_002.cif
_cod_data_source_block           dy3feal4si2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        758.0(4)
_cod_original_sg_symbol_H-M      P4/mbm
_cod_database_code               4001816
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x-1/2, -y-1/2, z'
'-x-1/2, y-1/2, z'
'-y-1/2, -x-1/2, z'
'y-1/2, x-1/2, z'
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
Dy1 Dy 0.180102(16) 0.061934(16) 0.5000 0.00706(8) Uani 0.989(3) 2 d SP
Dy2 Dy 0.663974(16) 0.163974(16) 0.5000 0.00728(11) Uani 0.998(3) 4 d SP
Fe1 Fe 0.12102(5) 0.62102(5) 0.5000 0.0068(3) Uani 1 4 d S
Al1 Al 0.0000 0.0000 0.0000 0.0139(16) Uani 0.5(2) 8 d SP
Mg1 Mg 0.0000 0.0000 0.0000 0.0139(16) Uani 0.5(2) 8 d SP
Al2 Al 0.35048(10) 0.00826(10) 0.0000 0.0082(3) Uani 1 2 d S
Al3 Al 0.20356(10) 0.70356(10) 0.0000 0.0084(4) Uani 1 4 d S
Al4 Al 0.0000 0.5000 0.5000 0.0092(6) Uani 1 8 d S
Si1 Si 0.09750(10) 0.19056(9) 0.0000 0.0077(3) 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
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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
Fe1 Dy1 Si1 101.34(3) 3_655 1_556
Fe1 Dy1 Si1 101.34(3) 3_655 .
Si1 Dy1 Si1 90.09(4) 1_556 .
Fe1 Dy1 Si1 99.20(3) 3_655 11
Si1 Dy1 Si1 159.39(4) 1_556 11
Si1 Dy1 Si1 87.52(4) . 11
Fe1 Dy1 Si1 99.20(3) 3_655 11_556
Si1 Dy1 Si1 87.52(4) 1_556 11_556
Si1 Dy1 Si1 159.39(4) . 11_556
Si1 Dy1 Si1 87.56(4) 11 11_556
Fe1 Dy1 Al2 51.01(2) 3_655 1_556
Si1 Dy1 Al2 87.22(3) 1_556 1_556
Si1 Dy1 Al2 150.77(4) . 1_556
Si1 Dy1 Al2 104.57(3) 11 1_556
Si1 Dy1 Al2 49.54(3) 11_556 1_556
Fe1 Dy1 Al2 51.01(2) 3_655 .
Si1 Dy1 Al2 150.77(4) 1_556 .
Si1 Dy1 Al2 87.23(3) . .
Si1 Dy1 Al2 49.54(3) 11 .
Si1 Dy1 Al2 104.58(3) 11_556 .
Al2 Dy1 Al2 81.20(4) 1_556 .
Fe1 Dy1 Al3 50.51(3) 3_655 3_656
Si1 Dy1 Al3 51.67(4) 1_556 3_656
Si1 Dy1 Al3 106.69(4) . 3_656
Si1 Dy1 Al3 147.97(4) 11 3_656
Si1 Dy1 Al3 87.75(3) 11_556 3_656
Al2 Dy1 Al3 50.60(4) 1_556 3_656
Al2 Dy1 Al3 101.52(4) . 3_656
Fe1 Dy1 Al3 50.51(3) 3_655 3_655
Si1 Dy1 Al3 106.69(4) 1_556 3_655
Si1 Dy1 Al3 51.67(4) . 3_655
Si1 Dy1 Al3 87.75(3) 11 3_655
Si1 Dy1 Al3 147.97(4) 11_556 3_655
Al2 Dy1 Al3 101.52(4) 1_556 3_655
Al2 Dy1 Al3 50.60(4) . 3_655
Al3 Dy1 Al3 79.75(2) 3_656 3_655
Fe1 Dy1 Al1 141.140(12) 3_655 .
Si1 Dy1 Al1 108.22(3) 1_556 .
Si1 Dy1 Al1 54.96(3) . .
Si1 Dy1 Al1 54.46(2) 11 .
Si1 Dy1 Al1 106.60(3) 11_556 .
Al2 Dy1 Al1 152.09(3) 1_556 .
Al2 Dy1 Al1 93.91(3) . .
Al3 Dy1 Al1 155.65(3) 3_656 .
Al3 Dy1 Al1 96.18(2) 3_655 .
Fe1 Dy1 Al1 141.140(12) 3_655 1_556
Si1 Dy1 Al1 54.96(3) 1_556 1_556
Si1 Dy1 Al1 108.22(3) . 1_556
Si1 Dy1 Al1 106.60(3) 11 1_556
Si1 Dy1 Al1 54.46(3) 11_556 1_556
Al2 Dy1 Al1 93.91(3) 1_556 1_556
Al2 Dy1 Al1 152.09(3) . 1_556
Al3 Dy1 Al1 96.18(2) 3_656 1_556
Al3 Dy1 Al1 155.65(3) 3_655 1_556
Al1 Dy1 Al1 77.59(2) . 1_556
Si1 Dy2 Si1 85.20(4) 13_666 3_656
Si1 Dy2 Si1 87.50(4) 13_666 13_665
Si1 Dy2 Si1 150.77(5) 3_656 13_665
Si1 Dy2 Si1 150.77(5) 13_666 3_655
Si1 Dy2 Si1 87.50(4) 3_656 3_655
Si1 Dy2 Si1 85.20(4) 13_665 3_655
Si1 Dy2 Al2 106.00(3) 13_666 15_665
Si1 Dy2 Al2 158.41(4) 3_656 15_665
Si1 Dy2 Al2 50.11(3) 13_665 15_665
Si1 Dy2 Al2 90.73(3) 3_655 15_665
Si1 Dy2 Al2 158.41(4) 13_666 9_655
Si1 Dy2 Al2 106.00(3) 3_656 9_655
Si1 Dy2 Al2 90.73(3) 13_665 9_655
Si1 Dy2 Al2 50.11(3) 3_655 9_655
Al2 Dy2 Al2 57.79(5) 15_665 9_655
Si1 Dy2 Al2 50.11(3) 13_666 15_666
Si1 Dy2 Al2 90.73(3) 3_656 15_666
Si1 Dy2 Al2 106.00(3) 13_665 15_666
Si1 Dy2 Al2 158.41(4) 3_655 15_666
Al2 Dy2 Al2 83.07(4) 15_665 15_666
Al2 Dy2 Al2 110.26(5) 9_655 15_666
Si1 Dy2 Al2 90.73(3) 13_666 9_656
Si1 Dy2 Al2 50.11(3) 3_656 9_656
Si1 Dy2 Al2 158.41(4) 13_665 9_656
Si1 Dy2 Al2 106.00(3) 3_655 9_656
Al2 Dy2 Al2 110.26(5) 15_665 9_656
Al2 Dy2 Al2 83.07(4) 9_655 9_656
Al2 Dy2 Al2 57.79(5) 15_666 9_656
Si1 Dy2 Al4 104.61(2) 13_666 3_655
Si1 Dy2 Al4 104.61(2) 3_656 3_655
Si1 Dy2 Al4 104.61(2) 13_665 3_655
Si1 Dy2 Al4 104.61(2) 3_655 3_655
Al2 Dy2 Al4 55.13(2) 15_665 3_655
Al2 Dy2 Al4 55.13(2) 9_655 3_655
Al2 Dy2 Al4 55.13(2) 15_666 3_655
Al2 Dy2 Al4 55.13(2) 9_656 3_655
Si1 Dy2 Al3 50.73(3) 13_666 9_666
Si1 Dy2 Al3 50.73(3) 3_656 9_666
Si1 Dy2 Al3 104.02(3) 13_665 9_666
Si1 Dy2 Al3 104.02(3) 3_655 9_666
Al2 Dy2 Al3 149.57(3) 15_665 9_666
Al2 Dy2 Al3 149.57(3) 9_655 9_666
Al2 Dy2 Al3 91.32(3) 15_666 9_666
Al2 Dy2 Al3 91.32(3) 9_656 9_666
Al4 Dy2 Al3 140.74(2) 3_655 9_666
Si1 Dy2 Al3 104.02(3) 13_666 9_665
Si1 Dy2 Al3 104.02(3) 3_656 9_665
Si1 Dy2 Al3 50.73(3) 13_665 9_665
Si1 Dy2 Al3 50.73(3) 3_655 9_665
Al2 Dy2 Al3 91.32(3) 15_665 9_665
Al2 Dy2 Al3 91.32(3) 9_655 9_665
Al2 Dy2 Al3 149.57(3) 15_666 9_665
Al2 Dy2 Al3 149.57(3) 9_656 9_665
Al4 Dy2 Al3 140.74(2) 3_655 9_665
Al3 Dy2 Al3 78.51(5) 9_666 9_665
Si1 Dy2 Dy1 51.66(2) 13_666 15_665
Si1 Dy2 Dy1 135.34(2) 3_656 15_665
Si1 Dy2 Dy1 51.66(2) 13_665 15_665
Si1 Dy2 Dy1 135.34(2) 3_655 15_665
Al2 Dy2 Dy1 54.67(2) 15_665 15_665
Al2 Dy2 Dy1 111.85(2) 9_655 15_665
Al2 Dy2 Dy1 54.67(2) 15_666 15_665
Al2 Dy2 Dy1 111.85(2) 9_656 15_665
Al4 Dy2 Dy1 79.614(6) 3_655 15_665
Al3 Dy2 Dy1 98.024(5) 9_666 15_665
Al3 Dy2 Dy1 98.024(5) 9_665 15_665
Al4 Fe1 Al2 71.95(3) . 5
Al4 Fe1 Al2 71.95(3) . 11_565
Al2 Fe1 Al2 62.60(6) 5 11_565
Al4 Fe1 Al2 71.95(3) . 5_556
Al2 Fe1 Al2 105.55(5) 5 5_556
Al2 Fe1 Al2 143.90(7) 11_565 5_556
Al4 Fe1 Al2 71.95(3) . 11_566
Al2 Fe1 Al2 143.90(7) 5 11_566
Al2 Fe1 Al2 105.55(5) 11_565 11_566
Al2 Fe1 Al2 62.60(6) 5_556 11_566
Al4 Fe1 Al3 127.32(4) . 1_556
Al2 Fe1 Al3 145.20(4) 5 1_556
Al2 Fe1 Al3 145.20(4) 11_565 1_556
Al2 Fe1 Al3 63.55(4) 5_556 1_556
Al2 Fe1 Al3 63.55(4) 11_566 1_556
Al4 Fe1 Al3 127.32(4) . .
Al2 Fe1 Al3 63.55(4) 5 .
Al2 Fe1 Al3 63.55(4) 11_565 .
Al2 Fe1 Al3 145.20(4) 5_556 .
Al2 Fe1 Al3 145.20(4) 11_566 .
Al3 Fe1 Al3 105.36(8) 1_556 .
Al4 Fe1 Dy1 118.454(16) . 11_566
Al2 Fe1 Dy1 127.19(3) 5 11_566
Al2 Fe1 Dy1 71.99(3) 11_565 11_566
Al2 Fe1 Dy1 127.19(3) 5_556 11_566
Al2 Fe1 Dy1 71.99(3) 11_566 11_566
Al3 Fe1 Dy1 73.21(2) 1_556 11_566
Al3 Fe1 Dy1 73.21(2) . 11_566
Al4 Fe1 Dy1 118.454(16) . 5_556
Al2 Fe1 Dy1 71.99(3) 5 5_556
Al2 Fe1 Dy1 127.19(3) 11_565 5_556
Al2 Fe1 Dy1 71.99(3) 5_556 5_556
Al2 Fe1 Dy1 127.19(3) 11_566 5_556
Al3 Fe1 Dy1 73.21(2) 1_556 5_556
Al3 Fe1 Dy1 73.21(2) . 5_556
Dy1 Fe1 Dy1 123.09(3) 11_566 5_556
Si1 Al1 Si1 180.0 . 9
Si1 Al1 Si1 90.0 . 11
Si1 Al1 Si1 90.0 9 11
Si1 Al1 Si1 90.0 . 3
Si1 Al1 Si1 90.0 9 3
Si1 Al1 Si1 180.00(5) 11 3
Si1 Al1 Dy1 124.149(18) . 9
Si1 Al1 Dy1 55.851(18) 9 9
Si1 Al1 Dy1 122.729(18) 11 9
Si1 Al1 Dy1 57.271(18) 3 9
Si1 Al1 Dy1 122.730(18) . 11
Si1 Al1 Dy1 57.271(18) 9 11
Si1 Al1 Dy1 55.851(18) 11 11
Si1 Al1 Dy1 124.149(18) 3 11
Dy1 Al1 Dy1 66.886(12) 9 11
Si1 Al1 Dy1 57.270(18) . 3
Si1 Al1 Dy1 122.729(18) 9 3
Si1 Al1 Dy1 124.149(18) 11 3
Si1 Al1 Dy1 55.851(18) 3 3
Dy1 Al1 Dy1 113.114(12) 9 3
Dy1 Al1 Dy1 180.000(7) 11 3
Si1 Al1 Dy1 55.851(18) . 1_554
Si1 Al1 Dy1 124.149(18) 9 1_554
Si1 Al1 Dy1 57.271(18) 11 1_554
Si1 Al1 Dy1 122.729(18) 3 1_554
Dy1 Al1 Dy1 102.41(2) 9 1_554
Dy1 Al1 Dy1 66.886(13) 11 1_554
Dy1 Al1 Dy1 113.114(12) 3 1_554
Si1 Al1 Dy1 124.149(18) . 9_556
Si1 Al1 Dy1 55.851(18) 9 9_556
Si1 Al1 Dy1 122.729(18) 11 9_556
Si1 Al1 Dy1 57.271(18) 3 9_556
Dy1 Al1 Dy1 77.59(2) 9 9_556
Dy1 Al1 Dy1 113.114(12) 11 9_556
Dy1 Al1 Dy1 66.886(13) 3 9_556
Dy1 Al1 Dy1 180.000(9) 1_554 9_556
Si1 Al1 Dy1 57.270(18) . 3_554
Si1 Al1 Dy1 122.729(18) 9 3_554
Si1 Al1 Dy1 124.149(18) 11 3_554
Si1 Al1 Dy1 55.851(18) 3 3_554
Dy1 Al1 Dy1 66.886(13) 9 3_554
Dy1 Al1 Dy1 102.41(2) 11 3_554
Dy1 Al1 Dy1 77.59(2) 3 3_554
Dy1 Al1 Dy1 66.886(13) 1_554 3_554
Dy1 Al1 Dy1 113.114(12) 9_556 3_554
Si1 Al1 Dy1 122.730(18) . 11_556
Si1 Al1 Dy1 57.271(18) 9 11_556
Si1 Al1 Dy1 55.851(18) 11 11_556
Si1 Al1 Dy1 124.149(18) 3 11_556
Dy1 Al1 Dy1 113.114(12) 9 11_556
Dy1 Al1 Dy1 77.59(2) 11 11_556
Dy1 Al1 Dy1 102.41(2) 3 11_556
Dy1 Al1 Dy1 113.114(12) 1_554 11_556
Dy1 Al1 Dy1 66.886(13) 9_556 11_556
Dy1 Al1 Dy1 180.000(9) 3_554 11_556
Si1 Al1 Dy1 55.852(18) . .
Si1 Al1 Dy1 124.149(18) 9 .
Si1 Al1 Dy1 57.271(18) 11 .
Si1 Al1 Dy1 122.729(18) 3 .
Dy1 Al1 Dy1 180.0 9 .
Dy1 Al1 Dy1 113.114(12) 11 .
Dy1 Al1 Dy1 66.886(13) 3 .
Dy1 Al1 Dy1 77.59(2) 1_554 .
Dy1 Al1 Dy1 102.41(2) 9_556 .
Dy1 Al1 Dy1 113.114(12) 3_554 .
Dy1 Al1 Dy1 66.886(12) 11_556 .
Si1 Al2 Fe1 116.56(4) 11 3_655
Si1 Al2 Fe1 116.56(4) 11 3_654
Fe1 Al2 Fe1 105.56(5) 3_655 3_654
Si1 Al2 Al2 168.48(4) 11 15_665
Fe1 Al2 Al2 58.70(3) 3_655 15_665
Fe1 Al2 Al2 58.70(3) 3_654 15_665
Si1 Al2 Al3 108.02(6) 11 3_655
Fe1 Al2 Al3 58.28(3) 3_655 3_655
Fe1 Al2 Al3 58.28(3) 3_654 3_655
Al2 Al2 Al3 60.46(3) 15_665 3_655
Si1 Al2 Al4 124.13(4) 11 3_655
Fe1 Al2 Al4 49.45(3) 3_655 3_655
Fe1 Al2 Al4 119.23(5) 3_654 3_655
Al2 Al2 Al4 62.20(3) 15_665 3_655
Al3 Al2 Al4 102.90(4) 3_655 3_655
Si1 Al2 Al4 124.13(4) 11 3_654
Fe1 Al2 Al4 119.23(5) 3_655 3_654
Fe1 Al2 Al4 49.45(3) 3_654 3_654
Al2 Al2 Al4 62.20(3) 15_665 3_654
Al3 Al2 Al4 102.90(4) 3_655 3_654
Al4 Al2 Al4 91.27(4) 3_655 3_654
Si1 Al2 Dy2 62.38(3) 11 9_655
Fe1 Al2 Dy2 167.10(5) 3_655 9_655
Fe1 Al2 Dy2 85.34(3) 3_654 9_655
Al2 Al2 Dy2 124.87(2) 15_665 9_655
Al3 Al2 Dy2 134.61(3) 3_655 9_655
Al4 Al2 Dy2 119.27(5) 3_655 9_655
Al4 Al2 Dy2 62.67(2) 3_654 9_655
Si1 Al2 Dy2 62.38(3) 11 9_656
Fe1 Al2 Dy2 85.34(3) 3_655 9_656
Fe1 Al2 Dy2 167.10(5) 3_654 9_656
Al2 Al2 Dy2 124.87(2) 15_665 9_656
Al3 Al2 Dy2 134.61(3) 3_655 9_656
Al4 Al2 Dy2 62.67(2) 3_655 9_656
Al4 Al2 Dy2 119.27(5) 3_654 9_656
Dy2 Al2 Dy2 83.07(4) 9_655 9_656
Si1 Al2 Dy1 61.43(3) 11 .
Fe1 Al2 Dy1 57.00(2) 3_655 .
Fe1 Al2 Dy1 119.46(5) 3_654 .
Al2 Al2 Dy1 110.53(2) 15_665 .
Al3 Al2 Dy1 65.61(3) 3_655 .
Al4 Al2 Dy1 92.82(2) 3_655 .
Al4 Al2 Dy1 168.42(5) 3_654 .
Dy2 Al2 Dy1 123.81(4) 9_655 .
Dy2 Al2 Dy1 72.14(2) 9_656 .
Si1 Al2 Dy1 61.43(3) 11 1_554
Fe1 Al2 Dy1 119.46(5) 3_655 1_554
Fe1 Al2 Dy1 57.00(2) 3_654 1_554
Al2 Al2 Dy1 110.53(2) 15_665 1_554
Al3 Al2 Dy1 65.61(3) 3_655 1_554
Al4 Al2 Dy1 168.42(5) 3_655 1_554
Al4 Al2 Dy1 92.82(2) 3_654 1_554
Dy2 Al2 Dy1 72.14(2) 9_655 1_554
Dy2 Al2 Dy1 123.81(4) 9_656 1_554
Dy1 Al2 Dy1 81.20(4) . 1_554
Fe1 Al3 Fe1 105.36(8) . 1_554
Fe1 Al3 Si1 113.569(17) . 5
Fe1 Al3 Si1 113.569(17) 1_554 5
Fe1 Al3 Si1 113.569(17) . 11_565
Fe1 Al3 Si1 113.569(17) 1_554 11_565
Si1 Al3 Si1 97.48(8) 5 11_565
Fe1 Al3 Al2 58.16(4) . 5
Fe1 Al3 Al2 58.16(4) 1_554 5
Si1 Al3 Al2 101.73(4) 5 5
Si1 Al3 Al2 160.80(6) 11_565 5
Fe1 Al3 Al2 58.16(4) . 11_565
Fe1 Al3 Al2 58.16(4) 1_554 11_565
Si1 Al3 Al2 160.80(6) 5 11_565
Si1 Al3 Al2 101.73(4) 11_565 11_565
Al2 Al3 Al2 59.07(7) 5 11_565
Fe1 Al3 Dy1 117.68(4) . 5
Fe1 Al3 Dy1 56.275(17) 1_554 5
Si1 Al3 Dy1 58.35(2) 5 5
Si1 Al3 Dy1 128.57(5) 11_565 5
Al2 Al3 Dy1 63.79(3) 5 5
Al2 Al3 Dy1 108.15(5) 11_565 5
Fe1 Al3 Dy1 117.68(4) . 11_565
Fe1 Al3 Dy1 56.275(17) 1_554 11_565
Si1 Al3 Dy1 128.57(5) 5 11_565
Si1 Al3 Dy1 58.35(2) 11_565 11_565
Al2 Al3 Dy1 108.15(5) 5 11_565
Al2 Al3 Dy1 63.79(3) 11_565 11_565
Dy1 Al3 Dy1 99.60(2) 5 11_565
Fe1 Al3 Dy1 56.275(17) . 11_566
Fe1 Al3 Dy1 117.67(4) 1_554 11_566
Si1 Al3 Dy1 128.57(5) 5 11_566
Si1 Al3 Dy1 58.35(2) 11_565 11_566
Al2 Al3 Dy1 108.15(5) 5 11_566
Al2 Al3 Dy1 63.79(3) 11_565 11_566
Dy1 Al3 Dy1 171.42(7) 5 11_566
Dy1 Al3 Dy1 79.75(2) 11_565 11_566
Fe1 Al3 Dy1 56.275(17) . 5_556
Fe1 Al3 Dy1 117.67(4) 1_554 5_556
Si1 Al3 Dy1 58.35(2) 5 5_556
Si1 Al3 Dy1 128.57(5) 11_565 5_556
Al2 Al3 Dy1 63.79(3) 5 5_556
Al2 Al3 Dy1 108.15(5) 11_565 5_556
Dy1 Al3 Dy1 79.75(2) 5 5_556
Dy1 Al3 Dy1 171.42(7) 11_565 5_556
Dy1 Al3 Dy1 99.60(2) 11_566 5_556
Fe1 Al3 Dy2 88.06(3) . 9_666
Fe1 Al3 Dy2 166.58(6) 1_554 9_666
Si1 Al3 Dy2 59.29(4) 5 9_666
Si1 Al3 Dy2 59.29(4) 11_565 9_666
Al2 Al3 Dy2 132.352(18) 5 9_666
Al2 Al3 Dy2 132.352(18) 11_565 9_666
Dy1 Al3 Dy2 117.62(4) 5 9_666
Dy1 Al3 Dy2 117.62(4) 11_565 9_666
Dy1 Al3 Dy2 69.65(2) 11_566 9_666
Dy1 Al3 Dy2 69.65(2) 5_556 9_666
Fe1 Al3 Dy2 166.58(6) . 9_665
Fe1 Al3 Dy2 88.06(3) 1_554 9_665
Si1 Al3 Dy2 59.29(4) 5 9_665
Si1 Al3 Dy2 59.29(4) 11_565 9_665
Al2 Al3 Dy2 132.352(18) 5 9_665
Al2 Al3 Dy2 132.352(18) 11_565 9_665
Dy1 Al3 Dy2 69.65(2) 5 9_665
Dy1 Al3 Dy2 69.65(2) 11_565 9_665
Dy1 Al3 Dy2 117.62(4) 11_566 9_665
Dy1 Al3 Dy2 117.62(4) 5_556 9_665
Dy2 Al3 Dy2 78.51(5) 9_666 9_665
Fe1 Al4 Fe1 180.00(2) 9_566 .
Fe1 Al4 Al2 58.60(3) 9_566 13_565
Fe1 Al4 Al2 121.40(3) . 13_565
Fe1 Al4 Al2 121.40(3) 9_566 5_556
Fe1 Al4 Al2 58.60(3) . 5_556
Al2 Al4 Al2 180.0 13_565 5_556
Fe1 Al4 Al2 121.40(3) 9_566 11_566
Fe1 Al4 Al2 58.60(3) . 11_566
Al2 Al4 Al2 124.39(5) 13_565 11_566
Al2 Al4 Al2 55.61(5) 5_556 11_566
Fe1 Al4 Al2 58.60(3) 9_566 3
Fe1 Al4 Al2 121.40(3) . 3
Al2 Al4 Al2 55.61(5) 13_565 3
Al2 Al4 Al2 124.39(5) 5_556 3
Al2 Al4 Al2 180.0 11_566 3
Fe1 Al4 Al2 58.60(3) 9_566 13_566
Fe1 Al4 Al2 121.40(3) . 13_566
Al2 Al4 Al2 91.27(4) 13_565 13_566
Al2 Al4 Al2 88.73(4) 5_556 13_566
Al2 Al4 Al2 62.79(5) 11_566 13_566
Al2 Al4 Al2 117.21(5) 3 13_566
Fe1 Al4 Al2 121.40(3) 9_566 11_565
Fe1 Al4 Al2 58.60(3) . 11_565
Al2 Al4 Al2 62.79(5) 13_565 11_565
Al2 Al4 Al2 117.21(5) 5_556 11_565
Al2 Al4 Al2 91.27(4) 11_566 11_565
Al2 Al4 Al2 88.73(4) 3 11_565
Al2 Al4 Al2 124.39(5) 13_566 11_565
Fe1 Al4 Al2 58.60(3) 9_566 3_556
Fe1 Al4 Al2 121.40(3) . 3_556
Al2 Al4 Al2 117.21(5) 13_565 3_556
Al2 Al4 Al2 62.79(5) 5_556 3_556
Al2 Al4 Al2 88.73(4) 11_566 3_556
Al2 Al4 Al2 91.27(4) 3 3_556
Al2 Al4 Al2 55.61(5) 13_566 3_556
Al2 Al4 Al2 180.00(4) 11_565 3_556
Fe1 Al4 Al2 121.40(3) 9_566 5
Fe1 Al4 Al2 58.60(3) . 5
Al2 Al4 Al2 88.73(4) 13_565 5
Al2 Al4 Al2 91.27(4) 5_556 5
Al2 Al4 Al2 117.21(5) 11_566 5
Al2 Al4 Al2 62.79(5) 3 5
Al2 Al4 Al2 180.0 13_566 5
Al2 Al4 Al2 55.61(5) 11_565 5
Al2 Al4 Al2 124.39(5) 3_556 5
Fe1 Al4 Dy2 90.0 9_566 3
Fe1 Al4 Dy2 90.0 . 3
Al2 Al4 Dy2 62.20(3) 13_565 3
Al2 Al4 Dy2 117.80(3) 5_556 3
Al2 Al4 Dy2 62.20(3) 11_566 3
Al2 Al4 Dy2 117.80(3) 3 3
Al2 Al4 Dy2 62.20(3) 13_566 3
Al2 Al4 Dy2 62.20(3) 11_565 3
Al2 Al4 Dy2 117.80(3) 3_556 3
Al2 Al4 Dy2 117.80(3) 5 3
Fe1 Al4 Dy2 90.0 9_566 11_566
Fe1 Al4 Dy2 90.0 . 11_566
Al2 Al4 Dy2 117.80(3) 13_565 11_566
Al2 Al4 Dy2 62.20(3) 5_556 11_566
Al2 Al4 Dy2 117.80(3) 11_566 11_566
Al2 Al4 Dy2 62.20(3) 3 11_566
Al2 Al4 Dy2 117.80(3) 13_566 11_566
Al2 Al4 Dy2 117.80(3) 11_565 11_566
Al2 Al4 Dy2 62.20(3) 3_556 11_566
Al2 Al4 Dy2 62.20(3) 5 11_566
Dy2 Al4 Dy2 180.0 3 11_566
Al2 Si1 Al3 119.74(6) 3 3_655
Al2 Si1 Al1 119.43(6) 3 .
Al3 Si1 Al1 120.83(6) 3_655 .
Al2 Si1 Dy1 134.95(2) 3 1_554
Al3 Si1 Dy1 69.99(4) 3_655 1_554
Al1 Si1 Dy1 69.18(3) . 1_554
Al2 Si1 Dy1 134.95(2) 3 .
Al3 Si1 Dy1 69.99(4) 3_655 .
Al1 Si1 Dy1 69.18(3) . .
Dy1 Si1 Dy1 90.09(4) 1_554 .
Al2 Si1 Dy1 69.02(3) 3 3_554
Al3 Si1 Dy1 136.22(2) 3_655 3_554
Al1 Si1 Dy1 68.27(3) . 3_554
Dy1 Si1 Dy1 75.96(2) 1_554 3_554
Dy1 Si1 Dy1 137.44(5) . 3_554
Al2 Si1 Dy1 69.02(3) 3 3
Al3 Si1 Dy1 136.22(2) 3_655 3
Al1 Si1 Dy1 68.27(3) . 3
Dy1 Si1 Dy1 137.44(5) 1_554 3
Dy1 Si1 Dy1 75.96(2) . 3
Dy1 Si1 Dy1 87.56(4) 3_554 3
Al2 Si1 Dy2 67.52(3) 3 11_566
Al3 Si1 Dy2 69.98(3) 3_655 11_566
Al1 Si1 Dy2 136.19(2) . 11_566
Dy1 Si1 Dy2 139.94(5) 1_554 11_566
Dy1 Si1 Dy2 77.68(2) . 11_566
Dy1 Si1 Dy2 136.54(4) 3_554 11_566
Dy1 Si1 Dy2 76.64(2) 3 11_566
Al2 Si1 Dy2 67.52(3) 3 11_565
Al3 Si1 Dy2 69.98(3) 3_655 11_565
Al1 Si1 Dy2 136.19(2) . 11_565
Dy1 Si1 Dy2 77.68(2) 1_554 11_565
Dy1 Si1 Dy2 139.94(5) . 11_565
Dy1 Si1 Dy2 76.64(2) 3_554 11_565
Dy1 Si1 Dy2 136.54(4) 3 11_565
Dy2 Si1 Dy2 87.50(4) 11_566 11_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Fe1 2.8065(9) 3_655
Dy1 Si1 2.9267(11) 1_556
Dy1 Si1 2.9267(11) .
Dy1 Si1 2.9935(11) 11
Dy1 Si1 2.9935(11) 11_556
Dy1 Al2 3.1825(12) 1_556
Dy1 Al2 3.1825(12) .
Dy1 Al3 3.2305(7) 3_656
Dy1 Al3 3.2305(7) 3_655
Dy1 Al1 3.3056(7) .
Dy1 Al1 3.3056(7) 1_556
Dy2 Si1 2.9950(11) 13_666
Dy2 Si1 2.9950(11) 3_656
Dy2 Si1 2.9950(11) 13_665
Dy2 Si1 2.9950(11) 3_655
Dy2 Al2 3.1234(12) 15_665
Dy2 Al2 3.1234(12) 9_655
Dy2 Al2 3.1234(12) 15_666
Dy2 Al2 3.1234(12) 9_656
Dy2 Al4 3.1369(10) 3_655
Dy2 Al3 3.2729(16) 9_666
Dy2 Al3 3.2729(16) 9_665
Dy2 Dy1 3.7132(11) 15_665
Fe1 Al4 2.3152(11) .
Fe1 Al2 2.6010(10) 5
Fe1 Al2 2.6010(10) 11_565
Fe1 Al2 2.6010(10) 5_556
Fe1 Al2 2.6010(10) 11_566
Fe1 Al3 2.6043(14) 1_556
Fe1 Al3 2.6043(14) .
Fe1 Dy1 2.8065(9) 11_566
Fe1 Dy1 2.8065(9) 5_556
Al1 Si1 2.8956(15) .
Al1 Si1 2.8956(15) 9
Al1 Si1 2.8956(15) 11
Al1 Si1 2.8956(15) 3
Al1 Dy1 3.3056(7) 9
Al1 Dy1 3.3056(7) 11
Al1 Dy1 3.3056(7) 3
Al1 Dy1 3.3056(7) 1_554
Al1 Dy1 3.3056(7) 9_556
Al1 Dy1 3.3056(7) 3_554
Al1 Dy1 3.3056(7) 11_556
Al2 Si1 2.594(2) 11
Al2 Fe1 2.6009(10) 3_655
Al2 Fe1 2.6009(10) 3_654
Al2 Al2 2.703(3) 15_665
Al2 Al3 2.741(2) 3_655
Al2 Al4 2.8971(11) 3_655
Al2 Al4 2.8971(11) 3_654
Al2 Dy2 3.1234(12) 9_655
Al2 Dy2 3.1234(12) 9_656
Al2 Dy1 3.1825(12) 1_554
Al3 Fe1 2.6044(14) 1_554
Al3 Si1 2.697(2) 5
Al3 Si1 2.697(2) 11_565
Al3 Al2 2.741(2) 5
Al3 Al2 2.741(2) 11_565
Al3 Dy1 3.2306(7) 5
Al3 Dy1 3.2306(7) 11_565
Al3 Dy1 3.2306(7) 11_566
Al3 Dy1 3.2306(7) 5_556
Al3 Dy2 3.2729(16) 9_666
Al3 Dy2 3.2729(16) 9_665
Al4 Fe1 2.3151(11) 9_566
Al4 Al2 2.8971(11) 13_565
Al4 Al2 2.8971(11) 5_556
Al4 Al2 2.8971(11) 11_566
Al4 Al2 2.8971(11) 3
Al4 Al2 2.8971(11) 13_566
Al4 Al2 2.8971(11) 11_565
Al4 Al2 2.8971(11) 3_556
Al4 Al2 2.8971(11) 5
Al4 Dy2 3.1368(10) 3
Al4 Dy2 3.1368(10) 11_566
Si1 Al2 2.593(2) 3
Si1 Al3 2.697(2) 3_655
Si1 Dy1 2.9267(11) 1_554
Si1 Dy1 2.9935(11) 3_554
Si1 Dy1 2.9935(11) 3
Si1 Dy2 2.9950(11) 11_566
Si1 Dy2 2.9950(11) 11_565
