##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_global
_audit_creation_method     'from SHELXL97 with EMEditor'
_journal_date_recd_electronic     2004-08-20
_journal_date_accepted     2004-09-08
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2004
_journal_volume     60
_journal_issue     10
_journal_page_first     i120
_journal_page_last     i123
_journal_paper_category     EI
_publ_contact_author_name     'Dr Hisanori Yamane'
_publ_contact_author_address
;
Center for Interdisciplinary Research
Tohoku University
6-3 Aramaki, Aoba-ku
Sendai 980-8578
Japan
;
_publ_contact_author_email     yamane@cir.tohoku.ac.jp
_publ_contact_author_fax     '81 22 217 4402'
_publ_contact_author_phone     '81 22 217 4402'
_publ_section_title
;
Ba₁₉In₉N₉, a subnitride containing isolated [In₅] and [In₈]
Zintl anions
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Yamane, Hisanori' .
;
Center for Interdisciplinary Research
Tohoku University
6-3 Aramaki, Aoba-ku
Sendai 980-8578
Japan
;
    'Sasaki, Shinya' .
;
Institute of Multidisciplinary Research for Advanced Materials
Tohoku University
2-1-1 Katahira, Aoba-ku
Sendai 980-8577
Japan
;
    'Kajiwara, Takashi' .
;
Graduate School of Science, Department of Chemistry
Tohoku University
6-3 Aramaki, Aoba-ku
Sendai 980-8578
Japan
;
    'Takahiro Yamada' .
;
Center for Interdisciplinary Research
Tohoku University
6-3 Aramaki, Aoba-ku
Sendai 980-8578
Japan
;
    'Shimada, Masahiko' .
;
Institute of Multidisciplinary Research for Advanced Materials
Tohoku University
2-1-1 Katahira, Aoba-ku
Sendai 980-8577
Japan
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
;
_chemical_name_common     'Barium indium nitride'
_chemical_formula_moiety     'Ba19 In9 N9'
_chemical_formula_sum     'Ba19 In9 N9'
_chemical_formula_structural     'Ba38 N18 (In5)2 (In8)'
_chemical_formula_iupac     'Ba19 In9 N9'
_chemical_formula_weight     3768.93
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_space_group_name_Hall     '-C 2y'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z'
    '-x, -y, -z'
    'x, -y, z'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z'
_cell_length_a     57.334(6)
_cell_length_b     7.9101(8)
_cell_length_c     10.1991(10)
_cell_angle_alpha     90.000
_cell_angle_beta     97.237(2)
_cell_angle_gamma     90.000
_cell_volume     4588.6(8)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     880
_cell_measurement_theta_min     3.137
_cell_measurement_theta_max     29.120
_cell_measurement_temperature     293(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     black
_exptl_crystal_size_max     0.09
_exptl_crystal_size_mid     0.08
_exptl_crystal_size_min     0.04
_exptl_crystal_density_diffrn     5.456
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     6272
_exptl_absorpt_coefficient_mu     20.415
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
face indexed (XPREP; Bruker, 1997)
;
_exptl_absorpt_correction_T_min     0.18626
_exptl_absorpt_correction_T_max     0.46507
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'bruker SMART CCD area-detector'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     19778
_diffrn_reflns_av_R_equivalents     0.0873
_diffrn_reflns_av_sigmaI/netI     0.0768
_diffrn_reflns_theta_min     1.43
_diffrn_reflns_theta_max     30.02
_diffrn_reflns_theta_full     30.02
_diffrn_measured_fraction_theta_max     0.985
_diffrn_measured_fraction_theta_full     0.985
_diffrn_reflns_limit_h_min     -57
_diffrn_reflns_limit_h_max     79
_diffrn_reflns_limit_k_min     -10
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_limit_l_max     13
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and
is
 not relevant to the choice of reflections for refinement.  R-factors
based
 on F² are statistically about twice as large as those based on F, and
R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     7053
_reflns_number_gt     5072
_reflns_threshold_expression     'I>2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0603
_refine_ls_R_factor_gt     0.0419
_refine_ls_wR_factor_gt     0.1015
_refine_ls_wR_factor_ref     0.1061
_refine_ls_goodness_of_fit_ref     0.952
_refine_ls_restrained_S_all     0.952
_refine_ls_number_reflns     7053
_refine_ls_number_parameters     198
_refine_ls_number_restraints     0
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                      'w=1/[σ²(Fo²)+(0.0447P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     10.264
_refine_diff_density_min     -3.822
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'In' 'In' -0.7276 1.3100
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ba' 'Ba' -0.3244 2.2819
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1999)'
_computing_cell_refinement     'SAINT (Bruker, 1999)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ATOMS (Dowty, 1999)'
_computing_publication_material     'SHELXL97'
loop_
    _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
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    N1 0.22639(18) 0.7557(11) 0.8076(9) 0.031(2) Uani d . 1 . . N
    N2 0.02974(18) 1.0000 1.1070(11) 0.019(2) Uani d S 1 . . N
    N3 0.07203(19) 1.0000 0.3993(10) 0.017(2) Uani d S 1 . . N
    N4 0.09761(19) 1.0000 0.7465(10) 0.018(2) Uani d S 1 . . N
    N5 0.2104(2) 1.0000 1.1225(12) 0.027(3) Uani d S 1 . . N
    N6 0.2537(2) 0.5000 0.5102(12) 0.028(3) Uani d S 1 . . N
    N7 0.15528(19) 1.0000 0.9403(11) 0.021(2) Uani d S 1 . . N
    N8 0.09420(18) 1.0000 1.0897(10) 0.017(2) Uani d S 1 . . N
    Ba1 0.063603(10) 0.22985(7) 0.19207(6) 0.01940(12) Uani d . 1 . . Ba
    Ba2 0.081006(10) 0.24282(7) 0.58247(5) 0.01767(12) Uani d . 1 . . Ba
    Ba3 0.230497(11) 0.24686(7) 0.32465(6) 0.02327(13) Uani d . 1 . . Ba
    Ba4 0.311643(11) 0.26118(8) 0.05405(6) 0.02532(14) Uani d . 1 . . Ba
    Ba5 0.383561(10) 0.27429(7) 0.04020(6) 0.02082(13) Uani d . 1 . . Ba
    Ba6 0.023824(14) 0.0000 0.37401(9) 0.02386(19) Uani d S 1 . . Ba
    Ba7 0.057961(14) 0.0000 0.87532(8) 0.01984(17) Uani d S 1 . . Ba
    Ba8 0.114270(13) 0.0000 0.32886(8) 0.01869(17) Uani d S 1 . . Ba
    Ba9 0.140743(14) 0.0000 0.69074(8) 0.01996(17) Uani d S 1 . . Ba
    Ba10 0.170894(14) 0.0000 0.20401(8) 0.02143(17) Uani d S 1 . . Ba
    Ba11 0.211182(14) 0.0000 0.63349(8) 0.02095(17) Uani d S 1 . . Ba
    Ba12 0.247621(18) 0.0000 0.00768(11) 0.0459(3) Uani d S 1 . . Ba
    Ba13 0.286464(14) 0.0000 0.35546(8) 0.02061(17) Uani d S 1 . . Ba
    Ba14 0.0000 0.23430(10) 0.0000 0.02306(18) Uani d S 1 . . Ba
    In1 0.163144(13) 0.30001(9) 0.46198(7) 0.02247(16) Uani d . 1 . . In
    In2 0.022941(14) 0.31236(11) 0.67209(8) 0.03381(19) Uani d . 1 . . In
    In3 0.139434(19) 0.5000 0.65137(11) 0.0280(2) Uani d S 1 . . In
    In4 0.05582(2) 0.5000 0.87495(10) 0.0275(2) Uani d S 1 . . In
    In5 0.023349(19) 0.5000 0.40531(11) 0.0288(2) Uani d S 1 . . In
    In6 0.118691(18) 0.5000 0.34247(11) 0.0283(2) Uani d S 1 . . In
    In7 0.16609(2) 0.5000 0.21988(11) 0.0331(3) Uani d S 1 . . In
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate
(isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
    N1 Ba13 7_556 2.663(9) yes
    N1 Ba11 1_565 2.694(9) yes
    N1 Ba4 4_556 2.743(10) yes
    N1 Ba12 1_566 2.959(9) yes
    N1 Ba3 4_556 2.962(10) yes
    N1 Ba12 7_556 3.026(9) yes
    N2 Ba14 5_566 2.658(7) yes
    N2 Ba14 1_566 2.658(7) yes
    N2 Ba1 1_566 2.721(7) yes
    N2 Ba1 6_566 2.721(7) yes
    N2 Ba6 1_566 2.786(11) yes
    N2 Ba7 1_565 3.027(12) yes
    N3 Ba8 1_565 2.612(11) yes
    N3 Ba2 1_565 2.684(7) yes
    N3 Ba2 6_565 2.684(7) yes
    N3 Ba6 1_565 2.743(11) yes
    N3 Ba1 6_565 2.784(8) yes
    N3 Ba1 1_565 2.784(8) yes
    N4 Ba9 1_565 2.606(11) yes
    N4 Ba2 6_565 2.644(7) yes
    N4 Ba2 1_565 2.644(7) yes
    N4 Ba7 1_565 2.765(11) yes
    N4 Ba5 7_566 2.914(8) yes
    N4 Ba5 4_556 2.914(8) yes
    N5 Ba10 1_566 2.508(12) yes
    N5 Ba12 1_566 2.562(12) yes
    N5 Ba4 4_556 2.799(9) yes
    N5 Ba4 7_566 2.799(9) yes
    N5 Ba3 1_566 2.965(9) yes
    N5 Ba3 6_566 2.965(9) yes
    N6 Ba11 7_556 2.635(13) yes
    N6 Ba3 4_556 2.662(8) yes
    N6 Ba3 7_556 2.662(8) yes
    N6 Ba13 7_556 2.825(13) yes
    N6 Ba3 . 2.954(9) yes
    N6 Ba3 6_565 2.954(9) yes
    N7 Ba9 1_565 2.576(11) yes
    N7 Ba4 7_566 2.672(8) yes
    N7 Ba4 4_556 2.672(8) yes
    N7 Ba10 1_566 2.726(11) yes
    N7 Ba5 4_556 2.881(9) yes
    N7 Ba5 7_566 2.881(9) yes
    N8 Ba8 1_566 2.563(10) yes
    N8 Ba5 7_566 2.644(8) yes
    N8 Ba5 4_556 2.644(8) yes
    N8 Ba1 6_566 2.817(8) yes
    N8 Ba1 1_566 2.817(8) yes
    N8 Ba7 1_565 2.820(10) yes
    Ba1 N2 1_544 2.721(7) ?
    Ba1 N3 1_545 2.784(8) ?
    Ba1 N8 1_544 2.817(8) ?
    Ba1 Ba8 . 3.5594(9) ?
    Ba1 Ba6 . 3.6079(10) ?
    Ba1 Ba1 6 3.6362(11) ?
    Ba1 Ba7 1_554 3.6856(9) ?
    Ba1 In4 1_554 3.8552(11) ?
    Ba1 Ba14 . 3.9162(7) ?
    Ba1 In6 . 3.9591(10) ?
    Ba1 Ba2 . 3.9824(9) ?
    Ba1 In5 . 3.9859(11) ?
    Ba2 N4 1_545 2.644(7) ?
    Ba2 N3 1_545 2.684(7) ?
    Ba2 In2 . 3.6038(11) ?
    Ba2 Ba2 6 3.8415(11) ?
    Ba2 In3 . 3.9066(11) ?
    Ba2 Ba8 . 3.9064(9) ?
    Ba2 Ba7 . 3.9179(9) ?
    Ba2 Ba9 . 3.9606(9) ?
    Ba2 In6 . 4.0164(12) ?
    Ba2 In4 . 4.0259(11) ?
    Ba2 Ba2 6_565 4.0686(11) ?
    Ba3 N6 7_556 2.662(8) ?
    Ba3 N1 4_546 2.962(10) ?
    Ba3 N5 1_544 2.965(9) ?
    Ba3 Ba13 . 3.7355(10) ?
    Ba3 Ba11 7_556 3.8747(10) ?
    Ba3 Ba3 6 3.9054(12) ?
    Ba3 Ba3 7_556 3.9728(12) ?
    Ba3 Ba11 . 3.9800(10) ?
    Ba3 Ba10 . 3.9931(10) ?
    Ba3 Ba12 . 4.0034(12) ?
    Ba3 Ba3 6_565 4.0047(12) ?
    Ba4 N7 7_566 2.672(8) ?
    Ba4 N1 4_546 2.743(10) ?
    Ba4 N5 7_566 2.799(9) ?
    Ba4 Ba10 7 3.4874(10) ?
    Ba4 Ba4 6_565 3.7781(13) ?
    Ba4 In7 7 3.8213(11) ?
    Ba4 Ba12 7 3.8693(12) ?
    Ba4 Ba9 7_556 4.0008(9) ?
    Ba4 Ba11 7_556 4.0605(10) ?
    Ba4 Ba13 . 4.1135(10) ?
    Ba4 Ba4 6 4.1320(13) ?
    Ba4 Ba5 . 4.1448(10) ?
    Ba5 N8 7_566 2.644(8) ?
    Ba5 N7 7_566 2.881(9) ?
    Ba5 N4 7_566 2.914(8) ?
    Ba5 Ba5 6_565 3.5708(12) ?
    Ba5 Ba9 7_556 3.6910(9) ?
    Ba5 Ba7 7_556 3.8005(10) ?
    Ba5 Ba1 7 4.0740(9) ?
    Ba5 In4 7_556 4.0962(11) ?
    Ba5 Ba2 7_556 4.1214(9) ?
    Ba5 Ba10 7 4.1449(10) ?
    Ba5 Ba8 7 4.1821(10) ?
    Ba6 N3 1_545 2.743(11) ?
    Ba6 N2 1_544 2.786(11) ?
    Ba6 Ba1 6 3.6079(10) ?
    Ba6 In2 5_556 3.6328(11) ?
    Ba6 In2 2_556 3.6328(11) ?
    Ba6 In2 . 3.9228(12) ?
    Ba6 In2 6 3.9228(12) ?
    Ba6 In5 . 3.9683(4) ?
    Ba6 In5 1_545 3.9683(4) ?
    Ba6 Ba6 5_556 3.9794(17) ?
    Ba7 N4 1_545 2.765(11) ?
    Ba7 N8 1_545 2.820(10) ?
    Ba7 N2 1_545 3.027(12) ?
    Ba7 In2 6 3.6584(10) ?
    Ba7 In2 . 3.6584(10) ?
    Ba7 Ba1 1_556 3.6856(9) ?
    Ba7 Ba1 6_556 3.6856(9) ?
    Ba7 Ba5 7_556 3.8005(10) ?
    Ba7 Ba5 4_546 3.8005(10) ?
    Ba7 Ba2 6 3.9179(9) ?
    Ba7 In4 1_545 3.9569(4) ?
    Ba8 N8 1_544 2.563(10) ?
    Ba8 N3 1_545 2.612(11) ?
    Ba8 Ba1 6 3.5594(9) ?
    Ba8 Ba10 . 3.6335(12) ?
    Ba8 In1 . 3.7905(9) ?
    Ba8 In1 6 3.7905(9) ?
    Ba8 Ba9 . 3.8098(11) ?
    Ba8 Ba2 6 3.9064(9) ?
    Ba8 In6 . 3.9645(4) ?
    Ba8 In6 1_545 3.9645(4) ?
    Ba9 N7 1_545 2.576(11) ?
    Ba9 N4 1_545 2.606(11) ?
    Ba9 In1 6 3.6715(10) ?
    Ba9 In1 . 3.6715(10) ?
    Ba9 Ba5 7_556 3.6910(9) ?
    Ba9 Ba5 4_546 3.6910(9) ?
    Ba9 Ba2 6 3.9606(9) ?
    Ba9 In3 1_545 3.9751(4) ?
    Ba9 In3 . 3.9751(4) ?
    Ba9 Ba4 7_556 4.0008(10) ?
    Ba10 N5 1_544 2.508(12) ?
    Ba10 N7 1_544 2.726(11) ?
    Ba10 Ba4 4_545 3.4874(10) ?
    Ba10 Ba4 7 3.4874(10) ?
    Ba10 In1 . 3.6119(10) ?
    Ba10 In1 6 3.6119(10) ?
    Ba10 In7 1_545 3.9693(4) ?
    Ba10 In7 . 3.9693(4) ?
    Ba10 Ba3 6 3.9931(10) ?
    Ba10 Ba5 4_545 4.1449(10) ?
    Ba11 N6 7_556 2.635(13) ?
    Ba11 N1 6_565 2.694(9) ?
    Ba11 N1 1_545 2.694(9) ?
    Ba11 Ba3 7_556 3.8747(10) ?
    Ba11 Ba3 4_546 3.8747(10) ?
    Ba11 In1 6 3.8811(10) ?
    Ba11 In1 . 3.8811(10) ?
    Ba11 Ba13 7_556 3.9585(4) ?
    Ba11 Ba13 7_546 3.9585(4) ?
    Ba11 Ba3 6 3.9800(10) ?
    Ba11 Ba4 7_556 4.0605(10) ?
    Ba12 N5 1_544 2.562(12) ?
    Ba12 N1 1_544 2.959(9) ?
    Ba12 N1 6_564 2.959(9) ?
    Ba12 N1 4_546 3.026(9) ?
    Ba12 N1 7_556 3.026(9) ?
    Ba12 Ba4 4_545 3.8693(12) ?
    Ba12 Ba4 7 3.8693(12) ?
    Ba12 Ba13 . 3.9434(15) ?
    Ba12 Ba12 7 3.9689(4) ?
    Ba12 Ba12 7_545 3.9689(4) ?
    Ba12 Ba3 6 4.0034(12) ?
    Ba13 N1 7_556 2.663(9) ?
    Ba13 N1 4_546 2.663(9) ?
    Ba13 N6 7_556 2.825(13) ?
    Ba13 In1 7_556 3.6002(10) ?
    Ba13 In1 4_546 3.6002(10) ?
    Ba13 Ba3 6 3.7355(10) ?
    Ba13 Ba11 7_556 3.9585(4) ?
    Ba13 Ba11 7_546 3.9585(4) ?
    Ba13 Ba3 7_556 4.0496(10) ?
    Ba13 Ba3 4_546 4.0496(10) ?
    Ba14 N2 1_544 2.658(7) ?
    Ba14 N2 5_566 2.658(7) ?
    Ba14 Ba14 5 3.7067(17) ?
    Ba14 In2 2_556 3.7953(9) ?
    Ba14 In2 1_554 3.7953(9) ?
    Ba14 Ba1 2 3.9162(7) ?
    Ba14 Ba7 5_556 4.1424(9) ?
    Ba14 Ba7 1_554 4.1424(9) ?
    Ba14 Ba14 5_565 4.2034(17) ?
    Ba14 Ba6 5 4.3057(9) ?
    In1 In7 . 2.9552(12) yes
    In1 In3 . 2.9569(12) yes
    In1 In6 . 3.1147(11) yes
    In1 In1 6_565 3.1639(14) yes
    In2 In2 6_565 2.9685(17) yes
    In2 In4 . 3.0090(12) yes
    In2 In5 5_566 3.0565(13) yes
    In2 In5 . 3.1021(13) yes
    In2 In2 2_556 4.1128(17) yes
    In2 In2 5_566 5.0722(17) no
    In3 In1 6_565 2.9569(12) yes
    In3 In6 . 3.2243(16) yes
    In4 In2 6_565 3.0090(12) yes
    In4 In4 5_566 9.334(2) no
    In5 In2 2_556 3.0564(13) yes
    In5 In2 5_566 3.0564(13) yes
    In5 In2 6_565 3.1021(13) yes
    In5 In5 5_566 3.493(2) yes
    In6 In1 6_565 3.1147(11) yes
    In6 In7 . 3.1312(16) yes
    In7 In1 6_565 2.9552(12) yes
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
    _geom_angle_publ_flag
    Ba13 N1 Ba11 7_556 1_565 95.3(3) ?
    Ba13 N1 Ba4 7_556 4_556 99.1(3) ?
    Ba11 N1 Ba4 1_565 4_556 96.6(3) ?
    Ba13 N1 Ba12 7_556 1_566 169.8(4) ?
    Ba11 N1 Ba12 1_565 1_566 93.3(2) ?
    Ba4 N1 Ba12 4_556 1_566 85.4(3) ?
    Ba13 N1 Ba3 7_556 4_556 83.0(3) ?
    Ba11 N1 Ba3 1_565 4_556 86.3(3) ?
    Ba4 N1 Ba3 4_556 4_556 176.1(4) ?
    Ba12 N1 Ba3 1_566 4_556 92.0(3) ?
    Ba13 N1 Ba12 7_556 7_556 87.5(2) ?
    Ba11 N1 Ba12 1_565 7_556 169.5(4) ?
    Ba4 N1 Ba12 4_556 7_556 92.9(3) ?
    Ba12 N1 Ba12 1_566 7_556 83.1(2) ?
    Ba3 N1 Ba12 4_556 7_556 83.9(3) ?
    Ba14 N2 Ba14 5_566 1_566 88.4(3) ?
    Ba14 N2 Ba1 5_566 1_566 172.7(5) ?
    Ba14 N2 Ba1 1_566 1_566 93.44(4) ?
    Ba14 N2 Ba1 5_566 6_566 93.44(4) ?
    Ba14 N2 Ba1 1_566 6_566 172.7(5) ?
    Ba1 N2 Ba1 1_566 6_566 83.9(3) ?
    Ba14 N2 Ba6 5_566 1_566 104.5(3) ?
    Ba14 N2 Ba6 1_566 1_566 104.5(3) ?
    Ba1 N2 Ba6 1_566 1_566 81.9(3) ?
    Ba1 N2 Ba6 6_566 1_566 81.9(3) ?
    Ba14 N2 Ba7 5_566 1_565 93.3(3) ?
    Ba14 N2 Ba7 1_566 1_565 93.3(3) ?
    Ba1 N2 Ba7 1_566 1_565 79.6(3) ?
    Ba1 N2 Ba7 6_566 1_565 79.6(3) ?
    Ba6 N2 Ba7 1_566 1_565 154.9(4) ?
    Ba8 N3 Ba2 1_565 1_565 95.1(3) ?
    Ba8 N3 Ba2 1_565 6_565 95.1(3) ?
    Ba2 N3 Ba2 1_565 6_565 91.4(3) ?
    Ba8 N3 Ba6 1_565 1_565 158.8(4) ?
    Ba2 N3 Ba6 1_565 1_565 99.7(3) ?
    Ba2 N3 Ba6 6_565 1_565 99.7(3) ?
    Ba8 N3 Ba1 1_565 6_565 82.5(3) ?
    Ba2 N3 Ba1 1_565 6_565 174.7(3) ?
    Ba2 N3 Ba1 6_565 6_565 93.49(3) ?
    Ba6 N3 Ba1 1_565 6_565 81.5(3) ?
    Ba8 N3 Ba1 1_565 1_565 82.5(3) ?
    Ba2 N3 Ba1 1_565 1_565 93.49(3) ?
    Ba2 N3 Ba1 6_565 1_565 174.7(3) ?
    Ba6 N3 Ba1 1_565 1_565 81.5(3) ?
    Ba1 N3 Ba1 6_565 1_565 81.6(3) ?
    Ba9 N4 Ba2 1_565 6_565 97.9(3) ?
    Ba9 N4 Ba2 1_565 1_565 97.9(3) ?
    Ba2 N4 Ba2 6_565 1_565 93.2(3) ?
    Ba9 N4 Ba7 1_565 1_565 164.4(4) ?
    Ba2 N4 Ba7 6_565 1_565 92.8(3) ?
    Ba2 N4 Ba7 1_565 1_565 92.8(3) ?
    Ba9 N4 Ba5 1_565 7_566 83.7(3) ?
    Ba2 N4 Ba5 6_565 7_566 170.8(3) ?
    Ba2 N4 Ba5 1_565 7_566 95.58(4) ?
    Ba7 N4 Ba5 1_565 7_566 84.0(3) ?
    Ba9 N4 Ba5 1_565 4_556 83.7(3) ?
    Ba2 N4 Ba5 6_565 4_556 95.58(4) ?
    Ba2 N4 Ba5 1_565 4_556 170.8(3) ?
    Ba7 N4 Ba5 1_565 4_556 84.0(3) ?
    Ba5 N4 Ba5 7_566 4_556 75.6(2) ?
    Ba10 N5 Ba12 1_566 1_566 172.2(5) ?
    Ba10 N5 Ba4 1_566 4_556 82.0(3) ?
    Ba12 N5 Ba4 1_566 4_556 92.3(3) ?
    Ba10 N5 Ba4 1_566 7_566 82.0(3) ?
    Ba12 N5 Ba4 1_566 7_566 92.3(3) ?
    Ba4 N5 Ba4 4_556 7_566 84.9(3) ?
    Ba10 N5 Ba3 1_566 1_566 93.3(3) ?
    Ba12 N5 Ba3 1_566 1_566 92.5(3) ?
    Ba4 N5 Ba3 4_556 1_566 175.0(5) ?
    Ba4 N5 Ba3 7_566 1_566 96.16(3) ?
    Ba10 N5 Ba3 1_566 6_566 93.3(3) ?
    Ba12 N5 Ba3 1_566 6_566 92.5(3) ?
    Ba4 N5 Ba3 4_556 6_566 96.16(3) ?
    Ba4 N5 Ba3 7_566 6_566 175.0(5) ?
    Ba3 N5 Ba3 1_566 6_566 82.4(3) ?
    Ba11 N6 Ba3 7_556 4_556 97.4(3) ?
    Ba11 N6 Ba3 7_556 7_556 97.4(3) ?
    Ba3 N6 Ba3 4_556 7_556 94.4(4) ?
    Ba11 N6 Ba13 7_556 7_556 175.3(5) ?
    Ba3 N6 Ba13 4_556 7_556 85.8(3) ?
    Ba3 N6 Ba13 7_556 7_556 85.8(3) ?
    Ba11 N6 Ba3 7_556 . 87.6(3) ?
    Ba3 N6 Ba3 4_556 . 172.9(4) ?
    Ba3 N6 Ba3 7_556 . 89.89(4) ?
    Ba13 N6 Ba3 7_556 . 88.9(3) ?
    Ba11 N6 Ba3 7_556 6_565 87.6(3) ?
    Ba3 N6 Ba3 4_556 6_565 89.89(4) ?
    Ba3 N6 Ba3 7_556 6_565 172.9(4) ?
    Ba13 N6 Ba3 7_556 6_565 88.9(3) ?
    Ba3 N6 Ba3 . 6_565 85.3(3) ?
    Ba9 N7 Ba4 1_565 7_566 99.3(3) ?
    Ba9 N7 Ba4 1_565 4_556 99.3(3) ?
    Ba4 N7 Ba4 7_566 4_556 90.0(3) ?
    Ba9 N7 Ba10 1_565 1_566 179.7(5) ?
    Ba4 N7 Ba10 7_566 1_566 80.5(2) ?
    Ba4 N7 Ba10 4_556 1_566 80.5(2) ?
    Ba9 N7 Ba5 1_565 4_556 84.9(3) ?
    Ba4 N7 Ba5 7_566 4_556 171.6(4) ?
    Ba4 N7 Ba5 4_556 4_556 96.49(5) ?
    Ba10 N7 Ba5 1_566 4_556 95.3(3) ?
    Ba9 N7 Ba5 1_565 7_566 84.9(3) ?
    Ba4 N7 Ba5 7_566 7_566 96.49(5) ?
    Ba4 N7 Ba5 4_556 7_566 171.6(4) ?
    Ba10 N7 Ba5 1_566 7_566 95.3(3) ?
    Ba5 N7 Ba5 4_556 7_566 76.6(3) ?
    Ba8 N8 Ba5 1_566 7_566 106.8(3) ?
    Ba8 N8 Ba5 1_566 4_556 106.8(3) ?
    Ba5 N8 Ba5 7_566 4_556 84.9(3) ?
    Ba8 N8 Ba1 1_566 6_566 82.7(3) ?
    Ba5 N8 Ba1 7_566 6_566 169.6(4) ?
    Ba5 N8 Ba1 4_556 6_566 96.43(5) ?
    Ba8 N8 Ba1 1_566 1_566 82.7(3) ?
    Ba5 N8 Ba1 7_566 1_566 96.43(5) ?
    Ba5 N8 Ba1 4_556 1_566 169.6(4) ?
    Ba1 N8 Ba1 6_566 1_566 80.4(3) ?
    Ba8 N8 Ba7 1_566 1_565 159.5(4) ?
    Ba5 N8 Ba7 7_566 1_565 88.1(3) ?
    Ba5 N8 Ba7 4_556 1_565 88.1(3) ?
    Ba1 N8 Ba7 6_566 1_565 81.7(2) ?
    Ba1 N8 Ba7 1_566 1_565 81.7(2) ?
    In7 In1 In3 . . 109.80(3) ?
    In7 In1 In6 . . 62.04(3) ?
    In3 In1 In6 . . 64.09(3) ?
    In7 In1 In1 . 6_565 57.634(18) ?
    In3 In1 In1 . 6_565 57.655(18) ?
    In6 In1 In1 . 6_565 59.475(16) ?
    In2 In2 In4 6_565 . 60.445(19) ?
    In2 In2 In5 6_565 5_566 60.947(19) ?
    In4 In2 In5 . 5_566 112.73(3) ?
    In2 In2 In5 6_565 . 61.415(19) ?
    In4 In2 In5 . . 107.09(3) ?
    In5 In2 In5 5_566 . 69.11(4) ?
    In1 In3 In1 . 6_565 64.69(4) ?
    In1 In3 In6 . . 60.33(3) ?
    In1 In3 In6 6_565 . 60.33(3) ?
    In2 In4 In2 . 6_565 59.11(4) ?
    In2 In5 In2 2_556 5_566 58.11(4) ?
    In2 In5 In2 2_556 6_565 110.89(4) ?
    In2 In5 In2 5_566 6_565 83.80(3) ?
    In2 In5 In2 2_556 . 83.80(3) ?
    In2 In5 In2 5_566 . 110.89(4) ?
    In2 In5 In2 6_565 . 57.17(4) ?
    In1 In6 In1 6_565 . 61.05(3) ?
    In1 In6 In7 6_565 . 56.48(3) ?
    In1 In6 In7 . . 56.48(3) ?
    In1 In6 In3 6_565 . 55.58(3) ?
    In1 In6 In3 . . 55.58(3) ?
    In7 In6 In3 . . 99.11(4) ?
    In1 In7 In1 6_565 . 64.73(4) ?
    In1 In7 In6 6_565 . 61.48(3) ?
    In1 In7 In6 . . 61.48(3) ?

