#------------------------------------------------------------------------------
#$Date: 2022-05-05 04:44:37 +0300 (Thu, 05 May 2022) $
#$Revision: 274908 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/89/2108962.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2108962
loop_
_publ_author_name
'Pianassola, Matheus'
'Alexander, Marlena'
'Chakoumakos, Bryan'
'Koschan, Merry'
'Melcher, Charles'
'Zhuravleva, Mariya'
_publ_section_title
;
 Effects of composition and growth parameters on phase formation in
 multicomponent aluminum garnet crystals
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520622002967
_journal_volume                  78
_journal_year                    2022
_chemical_formula_sum            'Al5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75'
_chemical_formula_weight         817.13
_chemical_name_common            'RE Garnet'
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'I a -3 d'
_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            8
_cell_length_a                   12.0703(3)
_cell_length_b                   12.0703(3)
_cell_length_c                   12.0703(3)
_cell_measurement_reflns_used    1419
_cell_measurement_temperature    270(1)
_cell_measurement_theta_max      32.5380
_cell_measurement_theta_min      3.3550
_cell_volume                     1758.55(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      270(1)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'XtaLAB AFC12 (RCD3): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0097
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            1603
_diffrn_reflns_theta_full        28.22
_diffrn_reflns_theta_max         28.22
_diffrn_reflns_theta_min         4.14
_exptl_absorpt_coefficient_mu    26.800
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.29083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.95a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    6.173
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2884
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.630
_refine_diff_density_min         -0.658
_refine_diff_density_rms         0.184
_refine_ls_extinction_coef       0.00053(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   1.444
_refine_ls_matrix_type           full
_refine_ls_number_parameters     18
_refine_ls_number_reflns         184
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.444
_refine_ls_R_factor_all          0.0138
_refine_ls_R_factor_gt           0.0135
_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)+(0.0066P)²+19.5266P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0293
_refine_ls_wR_factor_ref         0.0294
_reflns_number_gt                183
_reflns_number_total             184
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            tq5001sup1.cif
_cod_data_source_block           III
_cod_original_cell_volume        1758.54(8)
_cod_original_formula_sum        'Lu0.75 Dy0.75 Tb0.75 Gd0.75 Al5 O12'
_cod_database_code               2108962
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z'
'-y+1/4, x+3/4, z+1/4'
'y+1/4, x+3/4, -z+3/4'
'y+1/4, -x+1/4, z+3/4'
'-y+1/4, -x+1/4, -z+1/4'
'y, z, x'
'-y+1/2, -z, x+1/2'
'y, -z, -x+1/2'
'-y+1/2, z, -x'
'-z+1/4, y+3/4, x+1/4'
'-z+1/4, -y+1/4, -x+1/4'
'z+1/4, -y+1/4, x+3/4'
'z+1/4, y+3/4, -x+3/4'
'z, x, y'
'-z, x+1/2, -y+1/2'
'-z, -x+1/2, y'
'z, -x, -y+1/2'
'-x+1/4, -z+1/4, -y+1/4'
'-x+1/4, z+3/4, y+1/4'
'x+3/4, -z+3/4, y+1/4'
'x+1/4, z+3/4, -y+3/4'
'x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, -z+1'
'-x+1, -y+1/2, z+1'
'-x+1, y+1/2, -z+1/2'
'-y+3/4, x+5/4, z+3/4'
'y+3/4, x+5/4, -z+5/4'
'y+3/4, -x+3/4, z+5/4'
'-y+3/4, -x+3/4, -z+3/4'
'y+1/2, z+1/2, x+1/2'
'-y+1, -z+1/2, x+1'
'y+1/2, -z+1/2, -x+1'
'-y+1, z+1/2, -x+1/2'
'-z+3/4, y+5/4, x+3/4'
'-z+3/4, -y+3/4, -x+3/4'
'z+3/4, -y+3/4, x+5/4'
'z+3/4, y+5/4, -x+5/4'
'z+1/2, x+1/2, y+1/2'
'-z+1/2, x+1, -y+1'
'-z+1/2, -x+1, y+1/2'
'z+1/2, -x+1/2, -y+1'
'-x+3/4, -z+3/4, -y+3/4'
'-x+3/4, z+5/4, y+3/4'
'x+5/4, -z+5/4, y+3/4'
'x+3/4, z+5/4, -y+5/4'
'-x, -y, -z'
'-x, y, z-1/2'
'x-1/2, y, -z-1/2'
'x-1/2, -y, z'
'y-1/4, -x-3/4, -z-1/4'
'-y-1/4, -x-3/4, z-3/4'
'-y-1/4, x-1/4, -z-3/4'
'y-1/4, x-1/4, z-1/4'
'-y, -z, -x'
'y-1/2, z, -x-1/2'
'-y, z, x-1/2'
'y-1/2, -z, x'
'z-1/4, -y-3/4, -x-1/4'
'z-1/4, y-1/4, x-1/4'
'-z-1/4, y-1/4, -x-3/4'
'-z-1/4, -y-3/4, x-3/4'
'-z, -x, -y'
'z, -x-1/2, y-1/2'
'z, x-1/2, -y'
'-z, x, y-1/2'
'x-1/4, z-1/4, y-1/4'
'x-1/4, -z-3/4, -y-1/4'
'-x-3/4, z-3/4, -y-1/4'
'-x-1/4, -z-3/4, y-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z'
'x, y+1/2, -z'
'x, -y+1/2, z+1/2'
'y+1/4, -x-1/4, -z+1/4'
'-y+1/4, -x-1/4, z-1/4'
'-y+1/4, x+1/4, -z-1/4'
'y+1/4, x+1/4, z+1/4'
'-y+1/2, -z+1/2, -x+1/2'
'y, z+1/2, -x'
'-y+1/2, z+1/2, x'
'y, -z+1/2, x+1/2'
'z+1/4, -y-1/4, -x+1/4'
'z+1/4, y+1/4, x+1/4'
'-z+1/4, y+1/4, -x-1/4'
'-z+1/4, -y-1/4, x-1/4'
'-z+1/2, -x+1/2, -y+1/2'
'z+1/2, -x, y'
'z+1/2, x, -y+1/2'
'-z+1/2, x+1/2, y'
'x+1/4, z+1/4, y+1/4'
'x+1/4, -z-1/4, -y+1/4'
'-x-1/4, z-1/4, -y+1/4'
'-x+1/4, -z-1/4, y-1/4'
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
Lu Lu 0.1250 0.0000 0.2500 0.00348(15) Uani 0.25 4 d SP . .
Dy Dy 0.1250 0.0000 0.2500 0.00348(15) Uani 0.25 4 d SP . .
Tb Tb 0.1250 0.0000 0.2500 0.00348(15) Uani 0.25 4 d SP . .
Gd Gd 0.1250 0.0000 0.2500 0.00348(15) Uani 0.25 4 d SP . .
Al1 Al 0.3750 0.0000 0.2500 0.0029(5) Uani 1 4 d S . .
Al2 Al 0.0000 0.0000 0.0000 0.0030(5) Uani 1 6 d S . .
O O 0.1008(2) 0.1997(2) 0.2807(2) 0.0027(5) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Lu Lu -0.4720 5.8584 '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'
Tb Tb -0.1723 4.1537 '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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
O Lu O 71.76(13) 14 13_545 ?
O Lu O 112.46(13) 14 17 ?
O Lu O 158.58(13) 13_545 17 ?
O Lu O 158.58(13) 14 20 ?
O Lu O 112.46(13) 13_545 20 ?
O Lu O 71.76(13) 17 20 ?
O Lu O 94.66(8) 14 2 ?
O Lu O 74.09(10) 13_545 2 ?
O Lu O 124.87(6) 17 2 ?
O Lu O 67.74(13) 20 2 ?
O Lu O 124.87(6) 14 22_545 ?
O Lu O 67.74(13) 13_545 22_545 ?
O Lu O 94.66(8) 17 22_545 ?
O Lu O 74.09(10) 20 22_545 ?
O Lu O 108.06(13) 2 22_545 ?
O Lu O 67.74(13) 14 21 ?
O Lu O 124.87(6) 13_545 21 ?
O Lu O 74.09(10) 17 21 ?
O Lu O 94.66(8) 20 21 ?
O Lu O 73.64(12) 2 21 ?
O Lu O 166.32(12) 22_545 21 ?
O Lu O 74.09(10) 14 . ?
O Lu O 94.66(8) 13_545 . ?
O Lu O 67.74(13) 17 . ?
O Lu O 124.87(6) 20 . ?
O Lu O 166.32(12) 2 . ?
O Lu O 73.64(12) 22_545 . ?
O Lu O 108.06(13) 21 . ?
O Lu Al1 144.12(7) 14 . ?
O Lu Al1 144.12(7) 13_545 . ?
O Lu Al1 35.88(7) 17 . ?
O Lu Al1 35.88(7) 20 . ?
O Lu Al1 96.84(6) 2 . ?
O Lu Al1 83.16(6) 22_545 . ?
O Lu Al1 83.16(6) 21 . ?
O Lu Al1 96.84(6) . . ?
O Lu Al1 35.88(7) 14 51_556 ?
O Lu Al1 35.88(7) 13_545 51_556 ?
O Lu Al1 144.12(7) 17 51_556 ?
O Lu Al1 144.12(7) 20 51_556 ?
O Lu Al1 83.16(6) 2 51_556 ?
O Lu Al1 96.84(6) 22_545 51_556 ?
O Lu Al1 96.84(6) 21 51_556 ?
O Lu Al1 83.16(6) . 51_556 ?
Al1 Lu Al1 180.0 . 51_556 ?
O Lu Al2 33.75(7) 14 . ?
O Lu Al2 96.13(7) 13_545 . ?
O Lu Al2 97.37(7) 17 . ?
O Lu Al2 126.61(7) 20 . ?
O Lu Al2 79.16(6) 2 . ?
O Lu Al2 158.59(6) 22_545 . ?
O Lu Al2 34.46(6) 21 . ?
O Lu Al2 94.68(6) . . ?
Al1 Lu Al2 116.6 . . ?
Al1 Lu Al2 63.4 51_556 . ?
O Lu Al2 97.37(7) 14 8 ?
O Lu Al2 126.61(7) 13_545 8 ?
O Lu Al2 33.75(7) 17 8 ?
O Lu Al2 96.13(7) 20 8 ?
O Lu Al2 158.59(6) 2 8 ?
O Lu Al2 79.16(6) 22_545 8 ?
O Lu Al2 94.68(6) 21 8 ?
O Lu Al2 34.46(6) . 8 ?
Al1 Lu Al2 63.4 . 8 ?
Al1 Lu Al2 116.6 51_556 8 ?
Al2 Lu Al2 101.5 . 8 ?
O Dy O 71.76(13) 14 13_545 ?
O Dy O 112.46(13) 14 17 ?
O Dy O 158.58(13) 13_545 17 ?
O Dy O 158.58(13) 14 20 ?
O Dy O 112.46(13) 13_545 20 ?
O Dy O 71.76(13) 17 20 ?
O Dy O 94.66(8) 14 2 ?
O Dy O 74.09(10) 13_545 2 ?
O Dy O 124.87(6) 17 2 ?
O Dy O 67.74(13) 20 2 ?
O Dy O 124.87(6) 14 22_545 ?
O Dy O 67.74(13) 13_545 22_545 ?
O Dy O 94.66(8) 17 22_545 ?
O Dy O 74.09(10) 20 22_545 ?
O Dy O 108.06(13) 2 22_545 ?
O Dy O 67.74(13) 14 21 ?
O Dy O 124.87(6) 13_545 21 ?
O Dy O 74.09(10) 17 21 ?
O Dy O 94.66(8) 20 21 ?
O Dy O 73.64(12) 2 21 ?
O Dy O 166.32(12) 22_545 21 ?
O Dy O 74.09(10) 14 . ?
O Dy O 94.66(8) 13_545 . ?
O Dy O 67.74(13) 17 . ?
O Dy O 124.87(6) 20 . ?
O Dy O 166.32(12) 2 . ?
O Dy O 73.64(12) 22_545 . ?
O Dy O 108.06(13) 21 . ?
O Dy Al1 144.12(7) 14 . ?
O Dy Al1 144.12(7) 13_545 . ?
O Dy Al1 35.88(7) 17 . ?
O Dy Al1 35.88(7) 20 . ?
O Dy Al1 96.84(6) 2 . ?
O Dy Al1 83.16(6) 22_545 . ?
O Dy Al1 83.16(6) 21 . ?
O Dy Al1 96.84(6) . . ?
O Dy Al1 35.88(7) 14 51_556 ?
O Dy Al1 35.88(7) 13_545 51_556 ?
O Dy Al1 144.12(7) 17 51_556 ?
O Dy Al1 144.12(7) 20 51_556 ?
O Dy Al1 83.16(6) 2 51_556 ?
O Dy Al1 96.84(6) 22_545 51_556 ?
O Dy Al1 96.84(6) 21 51_556 ?
O Dy Al1 83.16(6) . 51_556 ?
Al1 Dy Al1 180.0 . 51_556 ?
O Dy Al2 33.75(7) 14 . ?
O Dy Al2 96.13(7) 13_545 . ?
O Dy Al2 97.37(7) 17 . ?
O Dy Al2 126.61(7) 20 . ?
O Dy Al2 79.16(6) 2 . ?
O Dy Al2 158.59(6) 22_545 . ?
O Dy Al2 34.46(6) 21 . ?
O Dy Al2 94.68(6) . . ?
Al1 Dy Al2 116.6 . . ?
Al1 Dy Al2 63.4 51_556 . ?
O Dy Al2 97.37(7) 14 8 ?
O Dy Al2 126.61(7) 13_545 8 ?
O Dy Al2 33.75(7) 17 8 ?
O Dy Al2 96.13(7) 20 8 ?
O Dy Al2 158.59(6) 2 8 ?
O Dy Al2 79.16(6) 22_545 8 ?
O Dy Al2 94.68(6) 21 8 ?
O Dy Al2 34.46(6) . 8 ?
Al1 Dy Al2 63.4 . 8 ?
Al1 Dy Al2 116.6 51_556 8 ?
Al2 Dy Al2 101.5 . 8 ?
O Tb O 71.76(13) 14 13_545 ?
O Tb O 112.46(13) 14 17 ?
O Tb O 158.58(13) 13_545 17 ?
O Tb O 158.58(13) 14 20 ?
O Tb O 112.46(13) 13_545 20 ?
O Tb O 71.76(13) 17 20 ?
O Tb O 94.66(8) 14 2 ?
O Tb O 74.09(10) 13_545 2 ?
O Tb O 124.87(6) 17 2 ?
O Tb O 67.74(13) 20 2 ?
O Tb O 124.87(6) 14 22_545 ?
O Tb O 67.74(13) 13_545 22_545 ?
O Tb O 94.66(8) 17 22_545 ?
O Tb O 74.09(10) 20 22_545 ?
O Tb O 108.06(13) 2 22_545 ?
O Tb O 67.74(13) 14 21 ?
O Tb O 124.87(6) 13_545 21 ?
O Tb O 74.09(10) 17 21 ?
O Tb O 94.66(8) 20 21 ?
O Tb O 73.64(12) 2 21 ?
O Tb O 166.32(12) 22_545 21 ?
O Tb O 74.09(10) 14 . ?
O Tb O 94.66(8) 13_545 . ?
O Tb O 67.74(13) 17 . ?
O Tb O 124.87(6) 20 . ?
O Tb O 166.32(12) 2 . ?
O Tb O 73.64(12) 22_545 . ?
O Tb O 108.06(13) 21 . ?
O Tb Al1 144.12(7) 14 . ?
O Tb Al1 144.12(7) 13_545 . ?
O Tb Al1 35.88(7) 17 . ?
O Tb Al1 35.88(7) 20 . ?
O Tb Al1 96.84(6) 2 . ?
O Tb Al1 83.16(6) 22_545 . ?
O Tb Al1 83.16(6) 21 . ?
O Tb Al1 96.84(6) . . ?
O Tb Al1 35.88(7) 14 51_556 ?
O Tb Al1 35.88(7) 13_545 51_556 ?
O Tb Al1 144.12(7) 17 51_556 ?
O Tb Al1 144.12(7) 20 51_556 ?
O Tb Al1 83.16(6) 2 51_556 ?
O Tb Al1 96.84(6) 22_545 51_556 ?
O Tb Al1 96.84(6) 21 51_556 ?
O Tb Al1 83.16(6) . 51_556 ?
Al1 Tb Al1 180.0 . 51_556 ?
O Tb Al2 33.75(7) 14 . ?
O Tb Al2 96.13(7) 13_545 . ?
O Tb Al2 97.37(7) 17 . ?
O Tb Al2 126.61(7) 20 . ?
O Tb Al2 79.16(6) 2 . ?
O Tb Al2 158.59(6) 22_545 . ?
O Tb Al2 34.46(6) 21 . ?
O Tb Al2 94.68(6) . . ?
Al1 Tb Al2 116.6 . . ?
Al1 Tb Al2 63.4 51_556 . ?
O Tb Al2 97.37(7) 14 8 ?
O Tb Al2 126.61(7) 13_545 8 ?
O Tb Al2 33.75(7) 17 8 ?
O Tb Al2 96.13(7) 20 8 ?
O Tb Al2 158.59(6) 2 8 ?
O Tb Al2 79.16(6) 22_545 8 ?
O Tb Al2 94.68(6) 21 8 ?
O Tb Al2 34.46(6) . 8 ?
Al1 Tb Al2 63.4 . 8 ?
Al1 Tb Al2 116.6 51_556 8 ?
Al2 Tb Al2 101.5 . 8 ?
O Gd O 71.76(13) 14 13_545 ?
O Gd O 112.46(13) 14 17 ?
O Gd O 158.58(13) 13_545 17 ?
O Gd O 158.58(13) 14 20 ?
O Gd O 112.46(13) 13_545 20 ?
O Gd O 71.76(13) 17 20 ?
O Gd O 94.66(8) 14 2 ?
O Gd O 74.09(10) 13_545 2 ?
O Gd O 124.87(6) 17 2 ?
O Gd O 67.74(13) 20 2 ?
O Gd O 124.87(6) 14 22_545 ?
O Gd O 67.74(13) 13_545 22_545 ?
O Gd O 94.66(8) 17 22_545 ?
O Gd O 74.09(10) 20 22_545 ?
O Gd O 108.06(13) 2 22_545 ?
O Gd O 67.74(13) 14 21 ?
O Gd O 124.87(6) 13_545 21 ?
O Gd O 74.09(10) 17 21 ?
O Gd O 94.66(8) 20 21 ?
O Gd O 73.64(12) 2 21 ?
O Gd O 166.32(12) 22_545 21 ?
O Gd O 74.09(10) 14 . ?
O Gd O 94.66(8) 13_545 . ?
O Gd O 67.74(13) 17 . ?
O Gd O 124.87(6) 20 . ?
O Gd O 166.32(12) 2 . ?
O Gd O 73.64(12) 22_545 . ?
O Gd O 108.06(13) 21 . ?
O Gd Al1 144.12(7) 14 . ?
O Gd Al1 144.12(7) 13_545 . ?
O Gd Al1 35.88(7) 17 . ?
O Gd Al1 35.88(7) 20 . ?
O Gd Al1 96.84(6) 2 . ?
O Gd Al1 83.16(6) 22_545 . ?
O Gd Al1 83.16(6) 21 . ?
O Gd Al1 96.84(6) . . ?
O Gd Al1 35.88(7) 14 51_556 ?
O Gd Al1 35.88(7) 13_545 51_556 ?
O Gd Al1 144.12(7) 17 51_556 ?
O Gd Al1 144.12(7) 20 51_556 ?
O Gd Al1 83.16(6) 2 51_556 ?
O Gd Al1 96.84(6) 22_545 51_556 ?
O Gd Al1 96.84(6) 21 51_556 ?
O Gd Al1 83.16(6) . 51_556 ?
Al1 Gd Al1 180.0 . 51_556 ?
O Gd Al2 33.75(7) 14 . ?
O Gd Al2 96.13(7) 13_545 . ?
O Gd Al2 97.37(7) 17 . ?
O Gd Al2 126.61(7) 20 . ?
O Gd Al2 79.16(6) 2 . ?
O Gd Al2 158.59(6) 22_545 . ?
O Gd Al2 34.46(6) 21 . ?
O Gd Al2 94.68(6) . . ?
Al1 Gd Al2 116.6 . . ?
Al1 Gd Al2 63.4 51_556 . ?
O Gd Al2 97.37(7) 14 8 ?
O Gd Al2 126.61(7) 13_545 8 ?
O Gd Al2 33.75(7) 17 8 ?
O Gd Al2 96.13(7) 20 8 ?
O Gd Al2 158.59(6) 2 8 ?
O Gd Al2 79.16(6) 22_545 8 ?
O Gd Al2 94.68(6) 21 8 ?
O Gd Al2 34.46(6) . 8 ?
Al1 Gd Al2 63.4 . 8 ?
Al1 Gd Al2 116.6 51_556 8 ?
Al2 Gd Al2 101.5 . 8 ?
O Al1 O 114.35(9) 64_666 20 ?
O Al1 O 114.35(9) 64_666 17 ?
O Al1 O 100.10(17) 20 17 ?
O Al1 O 100.10(17) 64_666 63_656 ?
O Al1 O 114.35(9) 20 63_656 ?
O Al1 O 114.35(9) 17 63_656 ?
O Al1 Dy 129.95(8) 64_666 . ?
O Al1 Dy 50.05(8) 20 . ?
O Al1 Dy 50.05(8) 17 . ?
O Al1 Dy 129.95(8) 63_656 . ?
O Al1 Lu 50.05(8) 64_666 51_656 ?
O Al1 Lu 129.95(8) 20 51_656 ?
O Al1 Lu 129.95(8) 17 51_656 ?
O Al1 Lu 50.05(8) 63_656 51_656 ?
Dy Al1 Lu 180.0 . 51_656 ?
O Al1 Dy 50.05(8) 64_666 51_656 ?
O Al1 Dy 129.95(8) 20 51_656 ?
O Al1 Dy 129.95(8) 17 51_656 ?
O Al1 Dy 50.05(8) 63_656 51_656 ?
Dy Al1 Dy 180.0 . 51_656 ?
Lu Al1 Dy 0.0 51_656 51_656 ?
O Al1 Tb 50.05(8) 64_666 51_656 ?
O Al1 Tb 129.95(8) 20 51_656 ?
O Al1 Tb 129.95(8) 17 51_656 ?
O Al1 Tb 50.05(8) 63_656 51_656 ?
Dy Al1 Tb 180.0 . 51_656 ?
Lu Al1 Tb 0.0 51_656 51_656 ?
Dy Al1 Tb 0.0 51_656 51_656 ?
O Al1 Gd 50.05(8) 64_666 51_656 ?
O Al1 Gd 129.95(8) 20 51_656 ?
O Al1 Gd 129.95(8) 17 51_656 ?
O Al1 Gd 50.05(8) 63_656 51_656 ?
Dy Al1 Gd 180.0 . 51_656 ?
Lu Al1 Gd 0.0 51_656 51_656 ?
Dy Al1 Gd 0.0 51_656 51_656 ?
Tb Al1 Gd 0.0 51_656 51_656 ?
O Al1 Gd 129.95(8) 64_666 . ?
O Al1 Gd 50.05(8) 20 . ?
O Al1 Gd 50.05(8) 17 . ?
O Al1 Gd 129.95(8) 63_656 . ?
Dy Al1 Gd 0.0 . . ?
Lu Al1 Gd 180.0 51_656 . ?
Dy Al1 Gd 180.0 51_656 . ?
Tb Al1 Gd 180.0 51_656 . ?
Gd Al1 Gd 180.0 51_656 . ?
O Al1 Lu 129.95(8) 64_666 . ?
O Al1 Lu 50.05(8) 20 . ?
O Al1 Lu 50.05(8) 17 . ?
O Al1 Lu 129.95(8) 63_656 . ?
Dy Al1 Lu 0.0 . . ?
Lu Al1 Lu 180.0 51_656 . ?
Dy Al1 Lu 180.0 51_656 . ?
Tb Al1 Lu 180.0 51_656 . ?
Gd Al1 Lu 180.0 51_656 . ?
Gd Al1 Lu 0.0 . . ?
O Al1 Tb 129.95(8) 64_666 . ?
O Al1 Tb 50.05(8) 20 . ?
O Al1 Tb 50.05(8) 17 . ?
O Al1 Tb 129.95(8) 63_656 . ?
Dy Al1 Tb 0.0 . . ?
Lu Al1 Tb 180.0 51_656 . ?
Dy Al1 Tb 180.0 51_656 . ?
Tb Al1 Tb 180.0 51_656 . ?
Gd Al1 Tb 180.0 51_656 . ?
Gd Al1 Tb 0.0 . . ?
Lu Al1 Tb 0.0 . . ?
O Al2 O 86.93(12) 21 14 ?
O Al2 O 86.93(12) 21 8 ?
O Al2 O 86.93(12) 14 8 ?
O Al2 O 93.07(12) 21 62 ?
O Al2 O 180.00(15) 14 62 ?
O Al2 O 93.07(12) 8 62 ?
O Al2 O 180.00(15) 21 69 ?
O Al2 O 93.07(12) 14 69 ?
O Al2 O 93.07(12) 8 69 ?
O Al2 O 86.93(12) 62 69 ?
O Al2 O 93.07(12) 21 56 ?
O Al2 O 93.07(12) 14 56 ?
O Al2 O 180.00(16) 8 56 ?
O Al2 O 86.93(12) 62 56 ?
O Al2 O 86.93(12) 69 56 ?
O Al2 Lu 134.13(8) 21 49 ?
O Al2 Lu 138.28(8) 14 49 ?
O Al2 Lu 88.23(8) 8 49 ?
O Al2 Lu 41.72(8) 62 49 ?
O Al2 Lu 45.87(8) 69 49 ?
O Al2 Lu 91.77(8) 56 49 ?
O Al2 Lu 138.28(8) 21 55_556 ?
O Al2 Lu 88.23(8) 14 55_556 ?
O Al2 Lu 134.13(8) 8 55_556 ?
O Al2 Lu 91.77(8) 62 55_556 ?
O Al2 Lu 41.72(8) 69 55_556 ?
O Al2 Lu 45.87(8) 56 55_556 ?
Lu Al2 Lu 66.4 49 55_556 ?
O Al2 Lu 91.77(8) 21 9 ?
O Al2 Lu 45.87(8) 14 9 ?
O Al2 Lu 41.72(8) 8 9 ?
O Al2 Lu 134.13(8) 62 9 ?
O Al2 Lu 88.23(8) 69 9 ?
O Al2 Lu 138.28(8) 56 9 ?
Lu Al2 Lu 113.6 49 9 ?
Lu Al2 Lu 113.6 55_556 9 ?
O Al2 Lu 88.23(8) 21 57 ?
O Al2 Lu 134.13(8) 14 57 ?
O Al2 Lu 138.28(8) 8 57 ?
O Al2 Lu 45.87(8) 62 57 ?
O Al2 Lu 91.77(8) 69 57 ?
O Al2 Lu 41.72(8) 56 57 ?
Lu Al2 Lu 66.4 49 57 ?
Lu Al2 Lu 66.4 55_556 57 ?
Lu Al2 Lu 180.0 9 57 ?
O Al2 Dy 134.13(8) 21 49 ?
O Al2 Dy 138.28(8) 14 49 ?
O Al2 Dy 88.23(8) 8 49 ?
O Al2 Dy 41.72(8) 62 49 ?
O Al2 Dy 45.87(8) 69 49 ?
O Al2 Dy 91.77(8) 56 49 ?
Lu Al2 Dy 0.0 49 49 ?
Lu Al2 Dy 66.4 55_556 49 ?
Lu Al2 Dy 113.6 9 49 ?
Lu Al2 Dy 66.4 57 49 ?
O Al2 Dy 41.72(8) 21 7_554 ?
O Al2 Dy 91.77(8) 14 7_554 ?
O Al2 Dy 45.87(8) 8 7_554 ?
O Al2 Dy 88.23(8) 62 7_554 ?
O Al2 Dy 138.28(8) 69 7_554 ?
O Al2 Dy 134.13(8) 56 7_554 ?
Lu Al2 Dy 113.6 49 7_554 ?
Lu Al2 Dy 180.0 55_556 7_554 ?
Lu Al2 Dy 66.4 9 7_554 ?
Lu Al2 Dy 113.6 57 7_554 ?
Dy Al2 Dy 113.6 49 7_554 ?
Al1 O Al2 130.82(15) 9 8 ?
Al1 O Gd 94.07(11) 9 9 ?
Al2 O Gd 104.53(12) 8 9 ?
Al1 O Tb 94.07(11) 9 9 ?
Al2 O Tb 104.53(12) 8 9 ?
Gd O Tb 0.0 9 9 ?
Al1 O Dy 94.07(11) 9 9 ?
Al2 O Dy 104.53(12) 8 9 ?
Gd O Dy 0.0 9 9 ?
Tb O Dy 0.0 9 9 ?
Al1 O Lu 94.07(11) 9 9 ?
Al2 O Lu 104.53(12) 8 9 ?
Gd O Lu 0.0 9 9 ?
Tb O Lu 0.0 9 9 ?
Dy O Lu 0.0 9 9 ?
Al1 O Dy 120.95(13) 9 . ?
Al2 O Dy 99.66(11) 8 . ?
Gd O Dy 101.36(10) 9 . ?
Tb O Dy 101.36(10) 9 . ?
Dy O Dy 101.36(10) 9 . ?
Lu O Dy 101.36(10) 9 . ?
Al1 O Gd 120.95(13) 9 . ?
Al2 O Gd 99.66(11) 8 . ?
Gd O Gd 101.36(10) 9 . ?
Tb O Gd 101.36(10) 9 . ?
Dy O Gd 101.36(10) 9 . ?
Lu O Gd 101.36(10) 9 . ?
Dy O Gd 0.0 . . ?
Al1 O Tb 120.95(13) 9 . ?
Al2 O Tb 99.66(11) 8 . ?
Gd O Tb 101.36(10) 9 . ?
Tb O Tb 101.36(10) 9 . ?
Dy O Tb 101.36(10) 9 . ?
Lu O Tb 101.36(10) 9 . ?
Dy O Tb 0.0 . . ?
Gd O Tb 0.0 . . ?
Al1 O Lu 120.95(13) 9 . ?
Al2 O Lu 99.66(11) 8 . ?
Gd O Lu 101.36(10) 9 . ?
Tb O Lu 101.36(10) 9 . ?
Dy O Lu 101.36(10) 9 . ?
Lu O Lu 101.36(10) 9 . ?
Dy O Lu 0.0 . . ?
Gd O Lu 0.0 . . ?
Tb O Lu 0.0 . . ?
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
Lu O 2.319(3) 14 ?
Lu O 2.319(3) 13_545 ?
Lu O 2.319(3) 17 ?
Lu O 2.319(3) 20 ?
Lu O 2.457(3) 2 ?
Lu O 2.457(3) 22_545 ?
Lu O 2.457(3) 21 ?
Lu O 2.457(3) . ?
Lu Al1 3.0176 . ?
Lu Al1 3.0176 51_556 ?
Lu Al2 3.3737 . ?
Lu Al2 3.3737 8 ?
Dy O 2.319(3) 14 ?
Dy O 2.319(3) 13_545 ?
Dy O 2.319(3) 17 ?
Dy O 2.319(3) 20 ?
Dy O 2.457(3) 2 ?
Dy O 2.457(3) 22_545 ?
Dy O 2.457(3) 21 ?
Dy O 2.457(3) . ?
Dy Al1 3.0176 . ?
Dy Al1 3.0176 51_556 ?
Dy Al2 3.3737 . ?
Dy Al2 3.3737 8 ?
Tb O 2.319(3) 14 ?
Tb O 2.319(3) 13_545 ?
Tb O 2.319(3) 17 ?
Tb O 2.319(3) 20 ?
Tb O 2.457(3) 2 ?
Tb O 2.457(3) 22_545 ?
Tb O 2.457(3) 21 ?
Tb O 2.457(3) . ?
Tb Al1 3.0176 . ?
Tb Al1 3.0176 51_556 ?
Tb Al2 3.3737 . ?
Tb Al2 3.3737 8 ?
Gd O 2.319(3) 14 ?
Gd O 2.319(3) 13_545 ?
Gd O 2.319(3) 17 ?
Gd O 2.319(3) 20 ?
Gd O 2.457(3) 2 ?
Gd O 2.457(3) 22_545 ?
Gd O 2.457(3) 21 ?
Gd O 2.457(3) . ?
Gd Al1 3.0176 . ?
Gd Al1 3.0176 51_556 ?
Gd Al2 3.3737 . ?
Gd Al2 3.3737 8 ?
Al1 O 1.773(3) 64_666 ?
Al1 O 1.773(3) 20 ?
Al1 O 1.773(3) 17 ?
Al1 O 1.773(3) 63_656 ?
Al1 Lu 3.0176 51_656 ?
Al1 Dy 3.0176 51_656 ?
Al1 Tb 3.0176 51_656 ?
Al1 Gd 3.0176 51_656 ?
Al2 O 1.936(3) 21 ?
Al2 O 1.936(3) 14 ?
Al2 O 1.936(3) 8 ?
Al2 O 1.936(3) 62 ?
Al2 O 1.936(3) 69 ?
Al2 O 1.936(3) 56 ?
Al2 Lu 3.3737 49 ?
Al2 Lu 3.3737 55_556 ?
Al2 Lu 3.3737 9 ?
Al2 Lu 3.3737 57 ?
Al2 Dy 3.3737 49 ?
Al2 Dy 3.3737 7_554 ?
O Al1 1.773(3) 9 ?
O Al2 1.936(3) 8 ?
O Gd 2.319(3) 9 ?
O Tb 2.319(3) 9 ?
O Dy 2.319(3) 9 ?
O Lu 2.319(3) 9 ?
