#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:38:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179387 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/84/4328406.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_4328406
loop_
_publ_author_name
'Cheng-Yang Yue'
'Xiao-Wu Lei'
_publ_contact_author_address
;
   Department of Chemistry and Chemical Engineering,
   Jining University,
   Qufu, Shandong, 273155, China
;
_publ_contact_author_email       leixw@fjirsm.ac.cn
_publ_contact_author_name
;
Xiao-Wu Lei 
;
_publ_section_title
;
 Syntheses and Structures of Sc2Nb4-xSn5, YNb6Sn6, and ErNb6Sn5:
 Exploratory Studies in Ternary Rare-Earth Niobium Stannides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2461
_journal_page_last               2471
_journal_paper_doi               10.1021/ic202414h
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Er Nb6 Sn5'
_chemical_formula_weight         1318.17
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_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            6
_cell_length_a                   5.7730(17)
_cell_length_b                   5.7730(17)
_cell_length_c                   51.05(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1473.4(8)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0438
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       65
_diffrn_reflns_limit_l_min       -63
_diffrn_reflns_number            3797
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.59
_exptl_absorpt_coefficient_mu    27.538
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4435
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'silvery white'
_exptl_crystal_density_diffrn    8.913
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3384
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.1000
_refine_diff_density_max         2.159
_refine_diff_density_min         -1.569
_refine_diff_density_rms         0.363
_refine_ls_extinction_coef       0.00072(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   1.259
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     32
_refine_ls_number_reflns         492
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.259
_refine_ls_R_factor_all          0.0249
_refine_ls_R_factor_gt           0.0228
_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)+(0.0186P)²+36.2575P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0527
_refine_ls_wR_factor_ref         0.0536
_reflns_number_gt                470
_reflns_number_total             492
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202414h_si_002_4.cif
_cod_data_source_block           ErNb6Sn5
_cod_original_cell_volume        1473.5(9)
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               4328406
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
Er1 Er 0.0000 0.0000 0.089419(12) 0.0043(2) Uani 1 6 d S
Nb1 Nb 0.17156(7) 0.34311(15) 0.193085(14) 0.0045(2) Uani 1 2 d S
Nb2 Nb 0.50027(7) 0.49973(7) 0.046907(13) 0.0023(2) Uani 1 2 d S
Sn1 Sn 0.0000 0.0000 0.147621(19) 0.0027(2) Uani 1 6 d S
Sn2 Sn 0.0000 0.0000 0.029483(18) 0.0030(2) Uani 1 6 d S
Sn3 Sn 0.0000 0.0000 0.333325(18) 0.0033(2) Uani 1 6 d S
Sn4 Sn 0.0000 0.0000 0.239809(18) 0.0030(2) Uani 1 6 d S
Sn5 Sn 0.0000 0.0000 0.573707(19) 0.0029(2) Uani 1 6 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nb Nb -2.0727 0.6215 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
Sn1 Er1 Sn2 180.0 . .
Sn1 Er1 Sn5 86.90(2) . 31
Sn2 Er1 Sn5 93.10(2) . 31
Sn1 Er1 Sn5 86.90(2) . 31_445
Sn2 Er1 Sn5 93.10(2) . 31_445
Sn5 Er1 Sn5 119.710(4) 31 31_445
Sn1 Er1 Sn5 86.90(2) . 31_545
Sn2 Er1 Sn5 93.10(2) . 31_545
Sn5 Er1 Sn5 119.709(4) 31 31_545
Sn5 Er1 Sn5 119.709(4) 31_445 31_545
Sn1 Er1 Sn4 86.399(19) . 25
Sn2 Er1 Sn4 93.601(19) . 25
Sn5 Er1 Sn4 59.888(1) 31 25
Sn5 Er1 Sn4 173.30(3) 31_445 25
Sn5 Er1 Sn4 59.889(1) 31_545 25
Sn1 Er1 Sn4 86.399(19) . 25_445
Sn2 Er1 Sn4 93.601(19) . 25_445
Sn5 Er1 Sn4 173.30(3) 31 25_445
Sn5 Er1 Sn4 59.888(1) 31_445 25_445
Sn5 Er1 Sn4 59.889(1) 31_545 25_445
Sn4 Er1 Sn4 119.610(4) 25 25_445
Sn1 Er1 Sn4 86.399(19) . 25_455
Sn2 Er1 Sn4 93.601(19) . 25_455
Sn5 Er1 Sn4 59.889(1) 31 25_455
Sn5 Er1 Sn4 59.889(1) 31_445 25_455
Sn5 Er1 Sn4 173.30(3) 31_545 25_455
Sn4 Er1 Sn4 119.609(4) 25 25_455
Sn4 Er1 Sn4 119.609(4) 25_445 25_455
Sn1 Er1 Nb2 126.940(19) . 1_445
Sn2 Er1 Nb2 53.060(19) . 1_445
Sn5 Er1 Nb2 136.39(2) 31 1_445
Sn5 Er1 Nb2 48.83(2) 31_445 1_445
Sn5 Er1 Nb2 91.822(16) 31_545 1_445
Sn4 Er1 Nb2 136.74(2) 25 1_445
Sn4 Er1 Nb2 49.20(2) 25_445 1_445
Sn4 Er1 Nb2 92.205(16) 25_455 1_445
Sn1 Er1 Nb2 126.940(19) . 2
Sn2 Er1 Nb2 53.060(19) . 2
Sn5 Er1 Nb2 91.822(16) 31 2
Sn5 Er1 Nb2 48.83(2) 31_445 2
Sn5 Er1 Nb2 136.39(2) 31_545 2
Sn4 Er1 Nb2 136.74(2) 25 2
Sn4 Er1 Nb2 92.205(16) 25_445 2
Sn4 Er1 Nb2 49.20(2) 25_455 2
Nb2 Er1 Nb2 47.19(2) 1_445 2
Sn1 Er1 Nb2 126.940(19) . 3
Sn2 Er1 Nb2 53.060(19) . 3
Sn5 Er1 Nb2 136.39(2) 31 3
Sn5 Er1 Nb2 91.822(16) 31_445 3
Sn5 Er1 Nb2 48.83(2) 31_545 3
Sn4 Er1 Nb2 92.206(16) 25 3
Sn4 Er1 Nb2 49.20(2) 25_445 3
Sn4 Er1 Nb2 136.74(2) 25_455 3
Nb2 Er1 Nb2 47.03(2) 1_445 3
Nb2 Er1 Nb2 87.61(3) 2 3
Sn1 Er1 Nb2 126.940(19) . 3_565
Sn2 Er1 Nb2 53.060(19) . 3_565
Sn5 Er1 Nb2 48.83(2) 31 3_565
Sn5 Er1 Nb2 91.822(16) 31_445 3_565
Sn5 Er1 Nb2 136.39(2) 31_545 3_565
Sn4 Er1 Nb2 92.205(16) 25 3_565
Sn4 Er1 Nb2 136.74(2) 25_445 3_565
Sn4 Er1 Nb2 49.20(2) 25_455 3_565
Nb2 Er1 Nb2 87.61(3) 1_445 3_565
Nb2 Er1 Nb2 47.03(2) 2 3_565
Nb2 Er1 Nb2 106.12(4) 3 3_565
Nb1 Nb1 Nb1 60.0 2_665 3_565
Nb1 Nb1 Sn1 120.979(19) 2_665 .
Nb1 Nb1 Sn1 120.979(19) 3_565 .
Nb1 Nb1 Sn5 61.179(19) 2_665 13_554
Nb1 Nb1 Sn5 61.179(19) 3_565 13_554
Sn1 Nb1 Sn5 177.36(3) . 13_554
Nb1 Nb1 Sn1 61.237(15) 2_665 25
Nb1 Nb1 Sn1 120.682(15) 3_565 25
Sn1 Nb1 Sn1 83.46(2) . 25
Sn5 Nb1 Sn1 96.70(2) 13_554 25
Nb1 Nb1 Sn1 120.682(15) 2_665 25_455
Nb1 Nb1 Sn1 61.237(15) 3_565 25_455
Sn1 Nb1 Sn1 83.46(2) . 25_455
Sn5 Nb1 Sn1 96.70(2) 13_554 25_455
Sn1 Nb1 Sn1 165.02(5) 25 25_455
Nb1 Nb1 Sn4 120.373(19) 2_665 .
Nb1 Nb1 Sn4 120.373(19) 3_565 .
Sn1 Nb1 Sn4 107.81(4) . .
Sn5 Nb1 Sn4 69.55(4) 13_554 .
Sn1 Nb1 Sn4 95.46(2) 25 .
Sn1 Nb1 Sn4 95.46(2) 25_455 .
Nb1 Nb1 Nb1 180.00(3) 2_665 2
Nb1 Nb1 Nb1 120.0 3_565 2
Sn1 Nb1 Nb1 59.021(19) . 2
Sn5 Nb1 Nb1 118.821(19) 13_554 2
Sn1 Nb1 Nb1 118.763(15) 25 2
Sn1 Nb1 Nb1 59.318(15) 25_455 2
Sn4 Nb1 Nb1 59.627(18) . 2
Nb1 Nb1 Nb1 120.0 2_665 3
Nb1 Nb1 Nb1 180.0 3_565 3
Sn1 Nb1 Nb1 59.021(19) . 3
Sn5 Nb1 Nb1 118.821(19) 13_554 3
Sn1 Nb1 Nb1 59.318(15) 25 3
Sn1 Nb1 Nb1 118.763(15) 25_455 3
Sn4 Nb1 Nb1 59.627(18) . 3
Nb1 Nb1 Nb1 60.0 2 3
Nb1 Nb1 Nb1 63.551(18) 2_665 27
Nb1 Nb1 Nb1 90.0 3_565 27
Sn1 Nb1 Nb1 57.53(3) . 27
Sn5 Nb1 Nb1 124.70(3) 13_554 27
Sn1 Nb1 Nb1 56.76(2) 25 27
Sn1 Nb1 Nb1 109.58(4) 25_455 27
Sn4 Nb1 Nb1 147.823(14) . 27
Nb1 Nb1 Nb1 116.449(18) 2 27
Nb1 Nb1 Nb1 90.0 3 27
Nb1 Nb1 Nb1 90.0 2_665 26_455
Nb1 Nb1 Nb1 63.551(18) 3_565 26_455
Sn1 Nb1 Nb1 57.53(3) . 26_455
Sn5 Nb1 Nb1 124.70(3) 13_554 26_455
Sn1 Nb1 Nb1 109.58(4) 25 26_455
Sn1 Nb1 Nb1 56.76(2) 25_455 26_455
Sn4 Nb1 Nb1 147.822(14) . 26_455
Nb1 Nb1 Nb1 90.0 2 26_455
Nb1 Nb1 Nb1 116.449(18) 3 26_455
Nb1 Nb1 Nb1 52.90(4) 27 26_455
Nb2 Nb2 Nb2 60.0 2_655 3_665
Nb2 Nb2 Sn5 120.089(18) 2_655 31
Nb2 Nb2 Sn5 120.089(18) 3_665 31
Nb2 Nb2 Nb2 120.0 2_655 3_565
Nb2 Nb2 Nb2 180.00(3) 3_665 3_565
Sn5 Nb2 Nb2 59.911(18) 31 3_565
Nb2 Nb2 Nb2 180.0 2_655 2_665
Nb2 Nb2 Nb2 120.0 3_665 2_665
Sn5 Nb2 Nb2 59.911(18) 31 2_665
Nb2 Nb2 Nb2 60.0 3_565 2_665
Nb2 Nb2 Sn4 60.253(18) 2_655 25
Nb2 Nb2 Sn4 60.253(18) 3_665 25
Sn5 Nb2 Sn4 70.33(4) 31 25
Nb2 Nb2 Sn4 119.747(18) 3_565 25
Nb2 Nb2 Sn4 119.747(18) 2_665 25
Nb2 Nb2 Sn3 60.382(18) 2_655 25
Nb2 Nb2 Sn3 60.382(18) 3_665 25
Sn5 Nb2 Sn3 179.42(3) 31 25
Nb2 Nb2 Sn3 119.618(18) 3_565 25
Nb2 Nb2 Sn3 119.618(18) 2_665 25
Sn4 Nb2 Sn3 110.25(4) 25 25
Nb2 Nb2 Sn3 119.678(18) 2_655 13_554
Nb2 Nb2 Sn3 119.678(18) 3_665 13_554
Sn5 Nb2 Sn3 109.76(4) 31 13_554
Nb2 Nb2 Sn3 60.322(18) 3_565 13_554
Nb2 Nb2 Sn3 60.322(18) 2_665 13_554
Sn4 Nb2 Sn3 179.92(3) 25 13_554
Sn3 Nb2 Sn3 69.67(3) 25 13_554
Nb2 Nb2 Sn2 61.506(14) 2_655 .
Nb2 Nb2 Sn2 118.593(13) 3_665 .
Sn5 Nb2 Sn2 103.86(2) 31 .
Nb2 Nb2 Sn2 61.407(14) 3_565 .
Nb2 Nb2 Sn2 118.494(13) 2_665 .
Sn4 Nb2 Sn2 104.00(2) 25 .
Sn3 Nb2 Sn2 76.03(2) 25 .
Sn3 Nb2 Sn2 75.99(2) 13_554 .
Nb2 Nb2 Sn2 118.593(13) 2_655 1_665
Nb2 Nb2 Sn2 61.506(13) 3_665 1_665
Sn5 Nb2 Sn2 103.86(2) 31 1_665
Nb2 Nb2 Sn2 118.494(13) 3_565 1_665
Nb2 Nb2 Sn2 61.407(13) 2_665 1_665
Sn4 Nb2 Sn2 104.00(2) 25 1_665
Sn3 Nb2 Sn2 76.03(2) 25 1_665
Sn3 Nb2 Sn2 75.99(2) 13_554 1_665
Sn2 Nb2 Sn2 145.74(4) . 1_665
Nb2 Nb2 Er1 113.595(12) 2_655 1_665
Nb2 Nb2 Er1 66.485(12) 3_665 1_665
Sn5 Nb2 Er1 60.63(2) 31 1_665
Nb2 Nb2 Er1 113.515(12) 3_565 1_665
Nb2 Nb2 Er1 66.405(12) 2_665 1_665
Sn4 Nb2 Er1 60.52(2) 25 1_665
Sn3 Nb2 Er1 119.60(2) 25 1_665
Sn3 Nb2 Er1 119.52(2) 13_554 1_665
Sn2 Nb2 Er1 160.19(3) . 1_665
Sn2 Nb2 Er1 54.07(3) 1_665 1_665
Nb2 Nb2 Er1 66.485(12) 2_655 .
Nb2 Nb2 Er1 113.595(12) 3_665 .
Sn5 Nb2 Er1 60.63(2) 31 .
Nb2 Nb2 Er1 66.405(12) 3_565 .
Nb2 Nb2 Er1 113.515(12) 2_665 .
Sn4 Nb2 Er1 60.52(2) 25 .
Sn3 Nb2 Er1 119.60(2) 25 .
Sn3 Nb2 Er1 119.51(2) 13_554 .
Sn2 Nb2 Er1 54.07(3) . .
Sn2 Nb2 Er1 160.19(3) 1_665 .
Er1 Nb2 Er1 106.12(4) 1_665 .
Nb1 Sn1 Nb1 61.96(4) . 3
Nb1 Sn1 Nb1 61.96(4) . 2
Nb1 Sn1 Nb1 61.96(4) 3 2
Nb1 Sn1 Nb1 127.54(3) . 26_445
Nb1 Sn1 Nb1 65.71(3) 3 26_445
Nb1 Sn1 Nb1 96.54(2) 2 26_445
Nb1 Sn1 Nb1 96.54(2) . 25
Nb1 Sn1 Nb1 65.71(3) 3 25
Nb1 Sn1 Nb1 127.54(3) 2 25
Nb1 Sn1 Nb1 57.53(3) 26_445 25
Nb1 Sn1 Nb1 127.54(3) . 27_445
Nb1 Sn1 Nb1 96.54(2) 3 27_445
Nb1 Sn1 Nb1 65.71(3) 2 27_445
Nb1 Sn1 Nb1 61.37(3) 26_445 27_445
Nb1 Sn1 Nb1 118.356(11) 25 27_445
Nb1 Sn1 Nb1 65.71(3) . 27
Nb1 Sn1 Nb1 96.54(2) 3 27
Nb1 Sn1 Nb1 127.54(3) 2 27
Nb1 Sn1 Nb1 118.356(11) 26_445 27
Nb1 Sn1 Nb1 61.37(3) 25 27
Nb1 Sn1 Nb1 165.02(5) 27_445 27
Nb1 Sn1 Nb1 96.54(2) . 25_455
Nb1 Sn1 Nb1 127.54(3) 3 25_455
Nb1 Sn1 Nb1 65.71(3) 2 25_455
Nb1 Sn1 Nb1 118.355(11) 26_445 25_455
Nb1 Sn1 Nb1 165.02(5) 25 25_455
Nb1 Sn1 Nb1 57.53(3) 27_445 25_455
Nb1 Sn1 Nb1 118.355(11) 27 25_455
Nb1 Sn1 Nb1 65.71(3) . 26_455
Nb1 Sn1 Nb1 127.54(3) 3 26_455
Nb1 Sn1 Nb1 96.54(2) 2 26_455
Nb1 Sn1 Nb1 165.02(5) 26_445 26_455
Nb1 Sn1 Nb1 118.355(11) 25 26_455
Nb1 Sn1 Nb1 118.355(11) 27_445 26_455
Nb1 Sn1 Nb1 57.53(3) 27 26_455
Nb1 Sn1 Nb1 61.36(3) 25_455 26_455
Nb1 Sn1 Er1 143.53(2) . .
Nb1 Sn1 Er1 143.53(2) 3 .
Nb1 Sn1 Er1 143.53(2) 2 .
Nb1 Sn1 Er1 82.57(2) 26_445 .
Nb1 Sn1 Er1 82.57(2) 25 .
Nb1 Sn1 Er1 82.57(2) 27_445 .
Nb1 Sn1 Er1 82.57(2) 27 .
Nb1 Sn1 Er1 82.57(2) 25_455 .
Nb1 Sn1 Er1 82.57(2) 26_455 .
Sn2 Sn2 Nb2 107.13(2) 19 .
Sn2 Sn2 Nb2 107.13(2) 19 1_445
Nb2 Sn2 Nb2 145.74(4) . 1_445
Sn2 Sn2 Nb2 107.13(2) 19 3_565
Nb2 Sn2 Nb2 57.19(3) . 3_565
Nb2 Sn2 Nb2 111.71(2) 1_445 3_565
Sn2 Sn2 Nb2 107.13(2) 19 2_655
Nb2 Sn2 Nb2 56.99(3) . 2_655
Nb2 Sn2 Nb2 111.71(2) 1_445 2_655
Nb2 Sn2 Nb2 111.71(2) 3_565 2_655
Sn2 Sn2 Nb2 107.13(2) 19 2
Nb2 Sn2 Nb2 111.71(2) . 2
Nb2 Sn2 Nb2 57.19(3) 1_445 2
Nb2 Sn2 Nb2 56.99(3) 3_565 2
Nb2 Sn2 Nb2 145.74(4) 2_655 2
Sn2 Sn2 Nb2 107.13(2) 19 3
Nb2 Sn2 Nb2 111.71(2) . 3
Nb2 Sn2 Nb2 56.99(3) 1_445 3
Nb2 Sn2 Nb2 145.74(4) 3_565 3
Nb2 Sn2 Nb2 57.19(3) 2_655 3
Nb2 Sn2 Nb2 111.71(2) 2 3
Sn2 Sn2 Er1 180.0 19 .
Nb2 Sn2 Er1 72.87(2) . .
Nb2 Sn2 Er1 72.87(2) 1_445 .
Nb2 Sn2 Er1 72.87(2) 3_565 .
Nb2 Sn2 Er1 72.87(2) 2_655 .
Nb2 Sn2 Er1 72.87(2) 2 .
Nb2 Sn2 Er1 72.87(2) 3 .
Nb2 Sn3 Nb2 59.24(4) 25 27_445
Nb2 Sn3 Nb2 59.24(4) 25 26_455
Nb2 Sn3 Nb2 59.24(4) 27_445 26_455
Nb2 Sn3 Nb2 110.33(3) 25 7_445
Nb2 Sn3 Nb2 146.811(14) 27_445 7_445
Nb2 Sn3 Nb2 146.811(14) 26_455 7_445
Nb2 Sn3 Nb2 146.811(14) 25 8
Nb2 Sn3 Nb2 146.809(14) 27_445 8
Nb2 Sn3 Nb2 110.33(3) 26_455 8
Nb2 Sn3 Nb2 59.36(4) 7_445 8
Nb2 Sn3 Nb2 146.811(14) 25 9_455
Nb2 Sn3 Nb2 110.33(3) 27_445 9_455
Nb2 Sn3 Nb2 146.809(14) 26_455 9_455
Nb2 Sn3 Nb2 59.36(4) 7_445 9_455
Nb2 Sn3 Nb2 59.36(4) 8 9_455
Nb2 Sn4 Nb2 59.50(4) 25 26_455
Nb2 Sn4 Nb2 59.50(4) 25 27_445
Nb2 Sn4 Nb2 59.50(4) 26_455 27_445
Nb2 Sn4 Nb1 146.373(15) 25 2
Nb2 Sn4 Nb1 146.372(15) 26_455 2
Nb2 Sn4 Nb1 109.32(4) 27_445 2
Nb2 Sn4 Nb1 109.32(3) 25 3
Nb2 Sn4 Nb1 146.373(15) 26_455 3
Nb2 Sn4 Nb1 146.373(15) 27_445 3
Nb1 Sn4 Nb1 60.75(4) 2 3
Nb2 Sn4 Nb1 146.373(15) 25 .
Nb2 Sn4 Nb1 109.32(4) 26_455 .
Nb2 Sn4 Nb1 146.372(15) 27_445 .
Nb1 Sn4 Nb1 60.75(4) 2 .
Nb1 Sn4 Nb1 60.75(4) 3 .
Nb2 Sn4 Er1 70.283(14) 25 25
Nb2 Sn4 Er1 70.283(14) 26_455 25
Nb2 Sn4 Er1 121.35(3) 27_445 25
Nb1 Sn4 Er1 129.32(3) 2 25
Nb1 Sn4 Er1 76.093(16) 3 25
Nb1 Sn4 Er1 76.092(16) . 25
Nb2 Sn4 Er1 70.283(14) 25 25_445
Nb2 Sn4 Er1 121.35(3) 26_455 25_445
Nb2 Sn4 Er1 70.283(14) 27_445 25_445
Nb1 Sn4 Er1 76.092(16) 2 25_445
Nb1 Sn4 Er1 76.093(16) 3 25_445
Nb1 Sn4 Er1 129.32(3) . 25_445
Er1 Sn4 Er1 119.610(4) 25 25_445
Nb2 Sn4 Er1 121.35(3) 25 25_455
Nb2 Sn4 Er1 70.282(14) 26_455 25_455
Nb2 Sn4 Er1 70.282(14) 27_445 25_455
Nb1 Sn4 Er1 76.093(16) 2 25_455
Nb1 Sn4 Er1 129.32(3) 3 25_455
Nb1 Sn4 Er1 76.093(16) . 25_455
Er1 Sn4 Er1 119.609(4) 25 25_455
Er1 Sn4 Er1 119.609(4) 25_445 25_455
Nb2 Sn5 Nb2 60.18(4) 31 33_545
Nb2 Sn5 Nb2 60.18(4) 31 32_445
Nb2 Sn5 Nb2 60.18(4) 33_545 32_445
Nb2 Sn5 Nb1 146.983(15) 31 7_445
Nb2 Sn5 Nb1 146.983(15) 33_545 7_445
Nb2 Sn5 Nb1 110.80(4) 32_445 7_445
Nb2 Sn5 Nb1 146.983(15) 31 8
Nb2 Sn5 Nb1 110.80(4) 33_545 8
Nb2 Sn5 Nb1 146.983(15) 32_445 8
Nb1 Sn5 Nb1 57.64(4) 7_445 8
Nb2 Sn5 Nb1 110.80(4) 31 9_455
Nb2 Sn5 Nb1 146.983(15) 33_545 9_455
Nb2 Sn5 Nb1 146.983(15) 32_445 9_455
Nb1 Sn5 Nb1 57.64(4) 7_445 9_455
Nb1 Sn5 Nb1 57.64(4) 8 9_455
Nb2 Sn5 Er1 70.540(15) 31 31
Nb2 Sn5 Er1 70.539(15) 33_545 31
Nb2 Sn5 Er1 122.27(4) 32_445 31
Nb1 Sn5 Er1 126.93(3) 7_445 31
Nb1 Sn5 Er1 76.528(17) 8 31
Nb1 Sn5 Er1 76.529(17) 9_455 31
Nb2 Sn5 Er1 70.540(15) 31 31_445
Nb2 Sn5 Er1 122.27(4) 33_545 31_445
Nb2 Sn5 Er1 70.539(15) 32_445 31_445
Nb1 Sn5 Er1 76.528(17) 7_445 31_445
Nb1 Sn5 Er1 126.93(3) 8 31_445
Nb1 Sn5 Er1 76.529(17) 9_455 31_445
Er1 Sn5 Er1 119.710(4) 31 31_445
Nb2 Sn5 Er1 122.27(4) 31 31_545
Nb2 Sn5 Er1 70.539(15) 33_545 31_545
Nb2 Sn5 Er1 70.539(15) 32_445 31_545
Nb1 Sn5 Er1 76.529(17) 7_445 31_545
Nb1 Sn5 Er1 76.529(17) 8 31_545
Nb1 Sn5 Er1 126.93(3) 9_455 31_545
Er1 Sn5 Er1 119.709(4) 31 31_545
Er1 Sn5 Er1 119.709(4) 31_445 31_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 Sn1 2.9715(17) .
Er1 Sn2 3.0599(18) .
Er1 Sn5 3.3379(10) 31
Er1 Sn5 3.3379(10) 31_445
Er1 Sn5 3.3380(10) 31_545
Er1 Sn4 3.3396(10) 25
Er1 Sn4 3.3396(10) 25_445
Er1 Sn4 3.3397(10) 25_455
Er1 Nb2 3.6114(10) 1_445
Er1 Nb2 3.6114(11) 2
Er1 Nb2 3.6114(10) 3
Er1 Nb2 3.6114(11) 3_565
Nb1 Nb1 2.8018(15) 2_665
Nb1 Nb1 2.8018(15) 3_565
Nb1 Sn1 2.8862(13) .
Nb1 Sn5 2.9060(14) 13_554
Nb1 Sn1 2.9113(9) 25
Nb1 Sn1 2.9114(9) 25_455
Nb1 Sn4 2.9382(14) .
Nb1 Nb1 2.9712(16) 2
Nb1 Nb1 2.9712(16) 3
Nb1 Nb1 3.1453(16) 27
Nb1 Nb1 3.1453(16) 26_455
Nb2 Nb2 2.8819(15) 2_655
Nb2 Nb2 2.8819(15) 3_665
Nb2 Sn5 2.8833(13) 31
Nb2 Nb2 2.8911(15) 3_565
Nb2 Nb2 2.8911(15) 2_665
Nb2 Sn4 2.9041(13) 25
Nb2 Sn3 2.9156(14) 25
Nb2 Sn3 2.9195(14) 13_554
Nb2 Sn2 3.0205(9) .
Nb2 Sn2 3.0205(9) 1_665
Nb2 Er1 3.6114(10) 1_665
Sn1 Nb1 2.8862(13) 3
Sn1 Nb1 2.8862(13) 2
Sn1 Nb1 2.9113(9) 26_445
Sn1 Nb1 2.9113(9) 25
Sn1 Nb1 2.9113(9) 27_445
Sn1 Nb1 2.9113(9) 27
Sn1 Nb1 2.9114(9) 25_455
Sn1 Nb1 2.9114(9) 26_455
Sn2 Sn2 3.010(2) 19
Sn2 Nb2 3.0205(9) 1_445
Sn2 Nb2 3.0205(9) 3_565
Sn2 Nb2 3.0205(9) 2_655
Sn2 Nb2 3.0205(9) 2
Sn2 Nb2 3.0205(9) 3
Sn3 Nb2 2.9156(14) 25
Sn3 Nb2 2.9156(14) 27_445
Sn3 Nb2 2.9156(14) 26_455
Sn3 Nb2 2.9195(14) 7_445
Sn3 Nb2 2.9196(14) 8
Sn3 Nb2 2.9196(14) 9_455
Sn4 Nb2 2.9041(13) 25
Sn4 Nb2 2.9041(13) 26_455
Sn4 Nb2 2.9041(13) 27_445
Sn4 Nb1 2.9382(14) 2
Sn4 Nb1 2.9382(14) 3
Sn4 Er1 3.3396(10) 25
Sn4 Er1 3.3396(10) 25_445
Sn4 Er1 3.3397(10) 25_455
Sn5 Nb2 2.8833(13) 31
Sn5 Nb2 2.8834(14) 33_545
Sn5 Nb2 2.8833(14) 32_445
Sn5 Nb1 2.9059(14) 7_445
Sn5 Nb1 2.9059(14) 8
Sn5 Nb1 2.9060(14) 9_455
Sn5 Er1 3.3379(10) 31
Sn5 Er1 3.3379(10) 31_445
Sn5 Er1 3.3380(10) 31_545
