#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/58/2015819.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_2015819
loop_
_publ_author_name
'Solokha, Pavlo'
'De Negri, Serena'
'Saccone, Adriana'
'Pavlyuk, Volodymyr'
'Marciniak, Bernard'
'Tedenac, Jean-Claude'
_publ_section_title
;
 Tb₂Ni₂Mg₃: a new structure type derived from the Ru₃Al₂B₂
 type
;
_journal_coeditor_code           SQ3057
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i13
_journal_page_last               i16
_journal_paper_doi               10.1107/S0108270107001503
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'Tb2 Ni2 Mg3'
_chemical_formula_moiety         '2(Ni Tb), 3(Mg)'
_chemical_formula_sum            'Mg3 Ni2 Tb2'
_chemical_formula_weight         508.19
_chemical_name_common            'Trimagnesium dinickel diterbium'
_chemical_name_systematic
;
diterbium dinickel trimagnesium
;
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_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            2
_cell_length_a                   3.9788(7)
_cell_length_b                   21.203(4)
_cell_length_c                   3.6583(7)
_cell_measurement_reflns_used    940
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      3.84
_cell_volume                     308.62(10)
_computing_cell_refinement       'CrysAlis CCD'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2004)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2005)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur'
_diffrn_measurement_method       ω
_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  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0224
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       2
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_number            940
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.84
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    28.795
_exptl_absorpt_correction_T_max  0.313
_exptl_absorpt_correction_T_min  0.075
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2005)'
_exptl_crystal_colour            'metallic dark grey'
_exptl_crystal_density_diffrn    5.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregularly shaped'
_exptl_crystal_F_000             444
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.233
_refine_diff_density_min         -1.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_matrix_type           full
_refine_ls_number_parameters     16
_refine_ls_number_reflns         213
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0323
_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)+(0.0609P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                199
_reflns_number_total             213
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sq3057.cif
_cod_data_source_block           I
_cod_database_code               2015819
_cod_database_fobs_code          2015819
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Tb Tb1 0.0000 0.17641(3) 0.0000 0.0154(3) Uani d S 1
Ni Ni1 0.0000 0.28698(10) 0.5000 0.0177(5) Uani d S 1
Mg Mg1 0.0000 0.4198(3) 0.5000 0.0252(13) Uani d S 1
Mg Mg2 0.0000 0.0000 0.0000 0.0258(18) Uani d S 1
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'
Ni Ni 0.3393 1.1124 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
Ni1 Tb1 Ni1 13_556 13_455 147.95(9)
Ni1 Tb1 Ni1 13_556 13 81.16(3)
Ni1 Tb1 Ni1 13_455 13 90.07(3)
Ni1 Tb1 Ni1 13_556 13_456 90.07(3)
Ni1 Tb1 Ni1 13_455 13_456 81.16(3)
Ni1 Tb1 Ni1 13 13_456 147.95(9)
Ni1 Tb1 Ni1 13_556 . 51.84(5)
Ni1 Tb1 Ni1 13_455 . 100.52(3)
Ni1 Tb1 Ni1 13 . 100.52(3)
Ni1 Tb1 Ni1 13_456 . 51.84(5)
Ni1 Tb1 Ni1 13_556 1_554 100.52(3)
Ni1 Tb1 Ni1 13_455 1_554 51.84(5)
Ni1 Tb1 Ni1 13 1_554 51.84(5)
Ni1 Tb1 Ni1 13_456 1_554 100.52(3)
Ni1 Tb1 Ni1 . 1_554 75.93(5)
Ni1 Tb1 Mg1 13_556 13_455 158.97(9)
Ni1 Tb1 Mg1 13_455 13_455 53.08(9)
Ni1 Tb1 Mg1 13 13_455 103.33(3)
Ni1 Tb1 Mg1 13_456 13_455 95.86(4)
Ni1 Tb1 Mg1 . 13_455 143.84(5)
Ni1 Tb1 Mg1 1_554 13_455 98.21(8)
Ni1 Tb1 Mg1 13_556 13_456 103.33(3)
Ni1 Tb1 Mg1 13_455 13_456 95.86(4)
Ni1 Tb1 Mg1 13 13_456 158.97(9)
Ni1 Tb1 Mg1 13_456 13_456 53.08(9)
Ni1 Tb1 Mg1 . 13_456 98.21(8)
Ni1 Tb1 Mg1 1_554 13_456 143.84(5)
Mg1 Tb1 Mg1 13_455 13_456 65.39(8)
Ni1 Tb1 Mg1 13_556 13 95.86(4)
Ni1 Tb1 Mg1 13_455 13 103.33(3)
Ni1 Tb1 Mg1 13 13 53.08(9)
Ni1 Tb1 Mg1 13_456 13 158.97(9)
Ni1 Tb1 Mg1 . 13 143.84(5)
Ni1 Tb1 Mg1 1_554 13 98.21(8)
Mg1 Tb1 Mg1 13_455 13 71.96(9)
Mg1 Tb1 Mg1 13_456 13 105.89(16)
Ni1 Tb1 Mg1 13_556 13_556 53.08(9)
Ni1 Tb1 Mg1 13_455 13_556 158.97(9)
Ni1 Tb1 Mg1 13 13_556 95.86(4)
Ni1 Tb1 Mg1 13_456 13_556 103.33(3)
Ni1 Tb1 Mg1 . 13_556 98.21(8)
Ni1 Tb1 Mg1 1_554 13_556 143.84(5)
Mg1 Tb1 Mg1 13_455 13_556 105.89(16)
Mg1 Tb1 Mg1 13_456 13_556 71.96(9)
Mg1 Tb1 Mg1 13 13_556 65.39(8)
Ni1 Tb1 Tb1 13_556 1_556 49.418(13)
Ni1 Tb1 Tb1 13_455 1_556 130.582(13)
Ni1 Tb1 Tb1 13 1_556 130.582(13)
Ni1 Tb1 Tb1 13_456 1_556 49.418(13)
Ni1 Tb1 Tb1 . 1_556 52.04(3)
Ni1 Tb1 Tb1 1_554 1_556 127.96(3)
Mg1 Tb1 Tb1 13_455 1_556 122.70(4)
Mg1 Tb1 Tb1 13_456 1_556 57.30(4)
Mg1 Tb1 Tb1 13 1_556 122.70(4)
Mg1 Tb1 Tb1 13_556 1_556 57.30(4)
Ni1 Tb1 Tb1 13_556 1_554 130.582(13)
Ni1 Tb1 Tb1 13_455 1_554 49.418(13)
Ni1 Tb1 Tb1 13 1_554 49.418(13)
Ni1 Tb1 Tb1 13_456 1_554 130.582(13)
Ni1 Tb1 Tb1 . 1_554 127.96(3)
Ni1 Tb1 Tb1 1_554 1_554 52.04(3)
Mg1 Tb1 Tb1 13_455 1_554 57.30(4)
Mg1 Tb1 Tb1 13_456 1_554 122.70(4)
Mg1 Tb1 Tb1 13 1_554 57.30(4)
Mg1 Tb1 Tb1 13_556 1_554 122.70(4)
Tb1 Tb1 Tb1 1_556 1_554 180.0
Ni1 Tb1 Tb1 13_556 13 52.18(4)
Ni1 Tb1 Tb1 13_455 13 98.49(5)
Ni1 Tb1 Tb1 13 13 52.18(4)
Ni1 Tb1 Tb1 13_456 13 98.49(5)
Ni1 Tb1 Tb1 . 13 48.33(2)
Ni1 Tb1 Tb1 1_554 13 48.33(2)
Mg1 Tb1 Tb1 13_455 13 145.48(6)
Mg1 Tb1 Tb1 13_456 13 145.48(6)
Mg1 Tb1 Tb1 13 13 101.08(8)
Mg1 Tb1 Tb1 13_556 13 101.08(8)
Tb1 Tb1 Tb1 1_556 13 90.0
Tb1 Tb1 Tb1 1_554 13 90.0
Ni1 Tb1 Tb1 13_556 13_455 98.49(5)
Ni1 Tb1 Tb1 13_455 13_455 52.18(4)
Ni1 Tb1 Tb1 13 13_455 98.49(5)
Ni1 Tb1 Tb1 13_456 13_455 52.18(4)
Ni1 Tb1 Tb1 . 13_455 48.33(2)
Ni1 Tb1 Tb1 1_554 13_455 48.33(2)
Mg1 Tb1 Tb1 13_455 13_455 101.08(8)
Mg1 Tb1 Tb1 13_456 13_455 101.08(8)
Mg1 Tb1 Tb1 13 13_455 145.48(6)
Mg1 Tb1 Tb1 13_556 13_455 145.48(6)
Tb1 Tb1 Tb1 1_556 13_455 90.0
Tb1 Tb1 Tb1 1_554 13_455 90.0
Tb1 Tb1 Tb1 13 13_455 65.04(3)
Ni1 Tb1 Mg2 13_556 . 106.03(4)
Ni1 Tb1 Mg2 13_455 . 106.03(4)
Ni1 Tb1 Mg2 13 . 106.03(4)
Ni1 Tb1 Mg2 13_456 . 106.03(4)
Ni1 Tb1 Mg2 . . 142.04(3)
Ni1 Tb1 Mg2 1_554 . 142.04(3)
Mg1 Tb1 Mg2 13_455 . 52.95(8)
Mg1 Tb1 Mg2 13_456 . 52.95(8)
Mg1 Tb1 Mg2 13 . 52.95(8)
Mg1 Tb1 Mg2 13_556 . 52.95(8)
Tb1 Tb1 Mg2 1_556 . 90.0
Tb1 Tb1 Mg2 1_554 . 90.0
Tb1 Tb1 Mg2 13 . 147.481(13)
Tb1 Tb1 Mg2 13_455 . 147.481(13)
Ni1 Tb1 Tb1 13_556 1_455 135.034(14)
Ni1 Tb1 Tb1 13_455 1_455 44.966(14)
Ni1 Tb1 Tb1 13 1_455 135.034(14)
Ni1 Tb1 Tb1 13_456 1_455 44.966(14)
Ni1 Tb1 Tb1 . 1_455 90.0
Ni1 Tb1 Tb1 1_554 1_455 90.0
Mg1 Tb1 Tb1 13_455 1_455 54.02(4)
Mg1 Tb1 Tb1 13_456 1_455 54.02(4)
Mg1 Tb1 Tb1 13 1_455 125.98(4)
Mg1 Tb1 Tb1 13_556 1_455 125.98(4)
Tb1 Tb1 Tb1 1_556 1_455 90.0
Tb1 Tb1 Tb1 1_554 1_455 90.0
Tb1 Tb1 Tb1 13 1_455 122.519(13)
Tb1 Tb1 Tb1 13_455 1_455 57.481(13)
Mg2 Tb1 Tb1 . 1_455 90.0
Ni1 Tb1 Tb1 13_556 1_655 44.966(14)
Ni1 Tb1 Tb1 13_455 1_655 135.034(14)
Ni1 Tb1 Tb1 13 1_655 44.966(14)
Ni1 Tb1 Tb1 13_456 1_655 135.034(14)
Ni1 Tb1 Tb1 . 1_655 90.0
Ni1 Tb1 Tb1 1_554 1_655 90.0
Mg1 Tb1 Tb1 13_455 1_655 125.98(4)
Mg1 Tb1 Tb1 13_456 1_655 125.98(4)
Mg1 Tb1 Tb1 13 1_655 54.02(4)
Mg1 Tb1 Tb1 13_556 1_655 54.02(4)
Tb1 Tb1 Tb1 1_556 1_655 90.0
Tb1 Tb1 Tb1 1_554 1_655 90.0
Tb1 Tb1 Tb1 13 1_655 57.481(13)
Tb1 Tb1 Tb1 13_455 1_655 122.519(13)
Mg2 Tb1 Tb1 . 1_655 90.0
Tb1 Tb1 Tb1 1_455 1_655 180.0
Ni1 Ni1 Ni1 13_456 13_556 103.51(15)
Ni1 Ni1 Tb1 13_456 13_556 136.60(5)
Ni1 Ni1 Tb1 13_556 13_556 67.37(2)
Ni1 Ni1 Tb1 13_456 13_455 67.37(2)
Ni1 Ni1 Tb1 13_556 13_455 136.60(5)
Tb1 Ni1 Tb1 13_556 13_455 147.95(9)
Ni1 Ni1 Tb1 13_456 13 136.60(5)
Ni1 Ni1 Tb1 13_556 13 67.37(2)
Tb1 Ni1 Tb1 13_556 13 81.16(3)
Tb1 Ni1 Tb1 13_455 13 90.07(3)
Ni1 Ni1 Tb1 13_456 13_456 67.37(2)
Ni1 Ni1 Tb1 13_556 13_456 136.60(5)
Tb1 Ni1 Tb1 13_556 13_456 90.07(3)
Tb1 Ni1 Tb1 13_455 13_456 81.16(3)
Tb1 Ni1 Tb1 13 13_456 147.95(9)
Ni1 Ni1 Mg1 13_456 . 128.25(7)
Ni1 Ni1 Mg1 13_556 . 128.25(7)
Tb1 Ni1 Mg1 13_556 . 73.97(4)
Tb1 Ni1 Mg1 13_455 . 73.97(4)
Tb1 Ni1 Mg1 13 . 73.97(4)
Tb1 Ni1 Mg1 13_456 . 73.97(4)
Ni1 Ni1 Tb1 13_456 . 60.79(6)
Ni1 Ni1 Tb1 13_556 . 60.79(6)
Tb1 Ni1 Tb1 13_556 . 128.16(5)
Tb1 Ni1 Tb1 13_455 . 79.48(3)
Tb1 Ni1 Tb1 13 . 79.48(3)
Tb1 Ni1 Tb1 13_456 . 128.16(5)
Mg1 Ni1 Tb1 . . 142.04(3)
Ni1 Ni1 Tb1 13_456 1_556 60.79(6)
Ni1 Ni1 Tb1 13_556 1_556 60.79(6)
Tb1 Ni1 Tb1 13_556 1_556 79.48(3)
Tb1 Ni1 Tb1 13_455 1_556 128.16(5)
Tb1 Ni1 Tb1 13 1_556 128.16(5)
Tb1 Ni1 Tb1 13_456 1_556 79.48(3)
Mg1 Ni1 Tb1 . 1_556 142.04(3)
Tb1 Ni1 Tb1 . 1_556 75.93(5)
Ni1 Mg1 Mg2 . 5_556 122.17(9)
Ni1 Mg1 Mg2 . 5_455 122.17(9)
Mg2 Mg1 Mg2 5_556 5_455 115.65(18)
Ni1 Mg1 Mg2 . 5_456 122.17(9)
Mg2 Mg1 Mg2 5_556 5_456 77.08(9)
Mg2 Mg1 Mg2 5_455 5_456 69.91(8)
Ni1 Mg1 Mg2 . 5 122.17(9)
Mg2 Mg1 Mg2 5_556 5 69.91(8)
Mg2 Mg1 Mg2 5_455 5 77.08(9)
Mg2 Mg1 Mg2 5_456 5 115.65(18)
Ni1 Mg1 Tb1 . 13_455 52.95(8)
Mg2 Mg1 Tb1 5_556 13_455 175.12(17)
Mg2 Mg1 Tb1 5_455 13_455 69.227(19)
Mg2 Mg1 Tb1 5_456 13_455 105.323(18)
Mg2 Mg1 Tb1 5 13_455 112.176(19)
Ni1 Mg1 Tb1 . 13_456 52.95(8)
Mg2 Mg1 Tb1 5_556 13_456 112.176(19)
Mg2 Mg1 Tb1 5_455 13_456 105.323(18)
Mg2 Mg1 Tb1 5_456 13_456 69.227(19)
Mg2 Mg1 Tb1 5 13_456 175.12(17)
Tb1 Mg1 Tb1 13_455 13_456 65.39(8)
Ni1 Mg1 Tb1 . 13_556 52.95(8)
Mg2 Mg1 Tb1 5_556 13_556 69.227(19)
Mg2 Mg1 Tb1 5_455 13_556 175.12(17)
Mg2 Mg1 Tb1 5_456 13_556 112.176(19)
Mg2 Mg1 Tb1 5 13_556 105.323(18)
Tb1 Mg1 Tb1 13_455 13_556 105.89(16)
Tb1 Mg1 Tb1 13_456 13_556 71.96(9)
Ni1 Mg1 Tb1 . 13 52.95(8)
Mg2 Mg1 Tb1 5_556 13 105.323(18)
Mg2 Mg1 Tb1 5_455 13 112.176(19)
Mg2 Mg1 Tb1 5_456 13 175.12(17)
Mg2 Mg1 Tb1 5 13 69.227(19)
Tb1 Mg1 Tb1 13_455 13 71.96(9)
Tb1 Mg1 Tb1 13_456 13 105.89(16)
Tb1 Mg1 Tb1 13_556 13 65.39(8)
Ni1 Mg1 Mg1 . 9_566 180.0
Mg2 Mg1 Mg1 5_556 9_566 57.83(9)
Mg2 Mg1 Mg1 5_455 9_566 57.83(9)
Mg2 Mg1 Mg1 5_456 9_566 57.83(9)
Mg2 Mg1 Mg1 5 9_566 57.83(9)
Tb1 Mg1 Mg1 13_455 9_566 127.05(8)
Tb1 Mg1 Mg1 13_456 9_566 127.05(8)
Tb1 Mg1 Mg1 13_556 9_566 127.05(8)
Tb1 Mg1 Mg1 13 9_566 127.05(8)
Ni1 Mg1 Mg1 . 1_554 90.0
Mg2 Mg1 Mg1 5_556 1_554 124.95(4)
Mg2 Mg1 Mg1 5_455 1_554 55.05(4)
Mg2 Mg1 Mg1 5_456 1_554 124.95(4)
Mg2 Mg1 Mg1 5 1_554 55.05(4)
Tb1 Mg1 Mg1 13_455 1_554 57.30(4)
Tb1 Mg1 Mg1 13_456 1_554 122.70(4)
Tb1 Mg1 Mg1 13_556 1_554 122.70(4)
Tb1 Mg1 Mg1 13 1_554 57.30(4)
Mg1 Mg1 Mg1 9_566 1_554 90.0
Ni1 Mg1 Mg1 . 1_556 90.0
Mg2 Mg1 Mg1 5_556 1_556 55.05(4)
Mg2 Mg1 Mg1 5_455 1_556 124.95(4)
Mg2 Mg1 Mg1 5_456 1_556 55.05(4)
Mg2 Mg1 Mg1 5 1_556 124.95(4)
Tb1 Mg1 Mg1 13_455 1_556 122.70(4)
Tb1 Mg1 Mg1 13_456 1_556 57.30(4)
Tb1 Mg1 Mg1 13_556 1_556 57.30(4)
Tb1 Mg1 Mg1 13 1_556 122.70(4)
Mg1 Mg1 Mg1 9_566 1_556 90.0
Mg1 Mg1 Mg1 1_554 1_556 180.00(19)
Mg1 Mg2 Mg1 13_556 5_444 180.00(18)
Mg1 Mg2 Mg1 13_556 13_455 115.65(18)
Mg1 Mg2 Mg1 5_444 13_455 64.35(18)
Mg1 Mg2 Mg1 13_556 5_545 64.35(18)
Mg1 Mg2 Mg1 5_444 5_545 115.65(18)
Mg1 Mg2 Mg1 13_455 5_545 180.00(18)
Mg1 Mg2 Mg1 13_556 13_456 77.08(9)
Mg1 Mg2 Mg1 5_444 13_456 102.92(9)
Mg1 Mg2 Mg1 13_455 13_456 69.91(8)
Mg1 Mg2 Mg1 5_545 13_456 110.09(8)
Mg1 Mg2 Mg1 13_556 5_445 110.09(8)
Mg1 Mg2 Mg1 5_444 5_445 69.91(8)
Mg1 Mg2 Mg1 13_455 5_445 102.92(9)
Mg1 Mg2 Mg1 5_545 5_445 77.08(9)
Mg1 Mg2 Mg1 13_456 5_445 64.35(18)
Mg1 Mg2 Mg1 13_556 5_544 102.92(9)
Mg1 Mg2 Mg1 5_444 5_544 77.08(9)
Mg1 Mg2 Mg1 13_455 5_544 110.09(8)
Mg1 Mg2 Mg1 5_545 5_544 69.91(8)
Mg1 Mg2 Mg1 13_456 5_544 180.00(18)
Mg1 Mg2 Mg1 5_445 5_544 115.65(18)
Mg1 Mg2 Mg1 13_556 13 69.91(8)
Mg1 Mg2 Mg1 5_444 13 110.09(8)
Mg1 Mg2 Mg1 13_455 13 77.08(9)
Mg1 Mg2 Mg1 5_545 13 102.92(9)
Mg1 Mg2 Mg1 13_456 13 115.65(18)
Mg1 Mg2 Mg1 5_445 13 180.00(18)
Mg1 Mg2 Mg1 5_544 13 64.35(18)
Mg1 Mg2 Mg2 13_556 1_556 55.05(4)
Mg1 Mg2 Mg2 5_444 1_556 124.95(4)
Mg1 Mg2 Mg2 13_455 1_556 124.95(4)
Mg1 Mg2 Mg2 5_545 1_556 55.05(4)
Mg1 Mg2 Mg2 13_456 1_556 55.05(4)
Mg1 Mg2 Mg2 5_445 1_556 55.05(4)
Mg1 Mg2 Mg2 5_544 1_556 124.95(4)
Mg1 Mg2 Mg2 13 1_556 124.95(4)
Mg1 Mg2 Mg2 13_556 1_554 124.95(4)
Mg1 Mg2 Mg2 5_444 1_554 55.05(4)
Mg1 Mg2 Mg2 13_455 1_554 55.05(4)
Mg1 Mg2 Mg2 5_545 1_554 124.95(4)
Mg1 Mg2 Mg2 13_456 1_554 124.95(4)
Mg1 Mg2 Mg2 5_445 1_554 124.95(4)
Mg1 Mg2 Mg2 5_544 1_554 55.05(4)
Mg1 Mg2 Mg2 13 1_554 55.05(4)
Mg2 Mg2 Mg2 1_556 1_554 180.0
Mg1 Mg2 Tb1 13_556 . 57.83(9)
Mg1 Mg2 Tb1 5_444 . 122.17(9)
Mg1 Mg2 Tb1 13_455 . 57.83(9)
Mg1 Mg2 Tb1 5_545 . 122.17(9)
Mg1 Mg2 Tb1 13_456 . 57.83(9)
Mg1 Mg2 Tb1 5_445 . 122.17(9)
Mg1 Mg2 Tb1 5_544 . 122.17(9)
Mg1 Mg2 Tb1 13 . 57.83(9)
Mg2 Mg2 Tb1 1_556 . 90.0
Mg2 Mg2 Tb1 1_554 . 90.0
Mg1 Mg2 Tb1 13_556 9 122.17(9)
Mg1 Mg2 Tb1 5_444 9 57.83(9)
Mg1 Mg2 Tb1 13_455 9 122.17(9)
Mg1 Mg2 Tb1 5_545 9 57.83(9)
Mg1 Mg2 Tb1 13_456 9 122.17(9)
Mg1 Mg2 Tb1 5_445 9 57.83(9)
Mg1 Mg2 Tb1 5_544 9 57.83(9)
Mg1 Mg2 Tb1 13 9 122.17(9)
Mg2 Mg2 Tb1 1_556 9 90.0
Mg2 Mg2 Tb1 1_554 9 90.0
Tb1 Mg2 Tb1 . 9 180.0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Tb1 Ni1 13_556 2.8118(7) y
Tb1 Ni1 13_455 2.8118(7) n
Tb1 Ni1 13 2.8118(7) n
Tb1 Ni1 13_456 2.8118(7) n
Tb1 Ni1 . 2.9735(17) y
Tb1 Ni1 1_554 2.9735(17) n
Tb1 Mg1 13_455 3.386(4) n
Tb1 Mg1 13_456 3.386(4) n
Tb1 Mg1 13 3.386(4) n
Tb1 Mg1 13_556 3.386(4) y
Tb1 Tb1 1_556 3.6583(7) y
Tb1 Tb1 1_554 3.6583(7) n
Tb1 Tb1 13 3.7007(13) n
Tb1 Tb1 13_455 3.7007(13) y
Tb1 Mg2 . 3.7405(9) y
Tb1 Tb1 1_455 3.9788(7) y
Tb1 Tb1 1_655 3.9788(7) n
Ni1 Ni1 13_456 2.533(3) n
Ni1 Ni1 13_556 2.533(3) y
Ni1 Tb1 13_556 2.8118(7) n
Ni1 Tb1 13_455 2.8118(7) n
Ni1 Tb1 13 2.8118(7) n
Ni1 Tb1 13_456 2.8118(7) n
Ni1 Mg1 . 2.817(6) y
Ni1 Tb1 1_556 2.9735(17) n
Mg1 Mg2 5_556 3.193(3) y
Mg1 Mg2 5_455 3.193(3) n
Mg1 Mg2 5_456 3.193(3) n
Mg1 Mg2 5 3.193(3) n
Mg1 Tb1 13_455 3.386(4) n
Mg1 Tb1 13_456 3.386(4) n
Mg1 Tb1 13_556 3.386(4) n
Mg1 Tb1 13 3.386(4) n
Mg1 Mg1 9_566 3.400(12) y
Mg1 Mg1 1_554 3.6583(7) n
Mg1 Mg1 1_556 3.6583(7) n
Mg2 Mg1 13_556 3.193(3) n
Mg2 Mg1 5_444 3.193(3) n
Mg2 Mg1 13_455 3.193(3) n
Mg2 Mg1 5_545 3.193(3) n
Mg2 Mg1 13_456 3.193(3) n
Mg2 Mg1 5_445 3.193(3) n
Mg2 Mg1 5_544 3.193(3) n
Mg2 Mg1 13 3.193(3) n
Mg2 Mg2 1_556 3.6583(7) n
Mg2 Mg2 1_554 3.6583(7) n
Mg2 Tb1 9 3.7405(9) n
