# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 186/1937

data_ba3mon4
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic  'tribarium molybdenum(VI) tetranitride'
 
 
_chemical_name_common             'Barium molybdenum nitride'
_chemical_melting_point           'not measured'
_chemical_formula_moiety          'Ba3 Mo N4'
_chemical_formula_sum
 'Ba3 Mo N4'
_chemical_formula_weight          564.00
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Mo'  'Mo'  -1.6832   0.6857
 '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'
 
_symmetry_cell_setting            trigonal
_symmetry_space_group_name_H-M    P31c
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-y, x-y, z'
 '-x+y, -x, z'
 'y, x, z+1/2'
 '-x, -x+y, z+1/2'
 'x-y, -y, z+1/2'
 
_cell_length_a                    18.422(3)
_cell_length_b                    18.422(3)
_cell_length_c                    10.405(2)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 120.00
_cell_volume                      3058.1(9)
_cell_formula_units_Z             18
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     57
_cell_measurement_theta_min       10.4
_cell_measurement_theta_max       17.1
 
_exptl_crystal_description        'hexagonal plates'
_exptl_crystal_colour             'red'
_exptl_crystal_size_max           0.230
_exptl_crystal_size_mid           0.165
_exptl_crystal_size_min           0.116
_exptl_crystal_density_meas       5.544
_exptl_crystal_density_diffrn     5.513
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              4284
_exptl_absorpt_coefficient_mu     18.852
_exptl_absorpt_correction_type    'integration'
_exptl_absorpt_correction_T_min   0.0227
_exptl_absorpt_correction_T_max   0.0812
_exptl_absorpt_process_details
; (Walker, N. & Stuart, D. (1983) Acta Cryst. A39, 158-166)
;
_exptl_special_details
;
 'tribarium molybdenum tetranitride'
; 
 
_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   'graphite'
_diffrn_measurement_device_type   'STOE STADI4 4-circle diffractometer D092'
_diffrn_measurement_method        
'Scan width (omega) = 1.16, scan ratio 2theta:'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          3
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   60
_diffrn_standards_decay_%         6
_diffrn_reflns_number             5538
_diffrn_reflns_av_R_equivalents   0.149
_diffrn_reflns_av_sigmaI/netI     0.1129
_diffrn_reflns_limit_h_min        -21
_diffrn_reflns_limit_h_max        21
_diffrn_reflns_limit_k_min        -21
_diffrn_reflns_limit_k_max        21
_diffrn_reflns_limit_l_min        0
_diffrn_reflns_limit_l_max        12
_diffrn_reflns_theta_min          2.55
_diffrn_reflns_theta_max          24.99
_reflns_number_total              1798
_reflns_number_gt                 1709
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        'STADI4 (STOE, 1996)'
_computing_cell_refinement        'STADI4 (STOE, 1996)'
_computing_data_reduction         'X-RED (STOE, 1996)'
_computing_structure_solution     'SIR97 ( )'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'Cameron'
_computing_publication_material   'WINGX ( )'
 
_refine_special_details
;
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
 'calc w=1/[\s^2^(Fo^2^)+(0.0706P)^2^+26.7404P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        no
_refine_ls_abs_structure_details
 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack    0.00(5)
_refine_ls_number_reflns          1798
_refine_ls_number_parameters      172
_refine_ls_number_restraints      1
_refine_ls_R_factor_all           0.0538
_refine_ls_R_factor_gt            0.0493
_refine_ls_wR_factor_ref          0.1293
_refine_ls_wR_factor_gt           0.1271
_refine_ls_goodness_of_fit_ref    1.074
_refine_ls_restrained_S_all       1.074
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
 
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
Ba01 Ba 0.91817(9) 0.13643(10) 0.37963(16) 0.0112(4) Uani 1 1 d . . .
Ba02 Ba 0.6667 0.3333 -0.3561(3) 0.0172(7) Uani 1 3 d S . .
Ba03 Ba 1.15169(11) 0.22648(10) -0.46570(18) 0.0135(4) Uani 1 1 d . . .
Ba04 Ba 0.74846(10) 0.56203(9) -0.20282(18) 0.0125(4) Uani 1 1 d . . .
Ba05 Ba 0.81310(10) 0.54842(10) -0.54547(18) 0.0147(4) Uani 1 1 d . . .
Ba06 Ba 1.0000 0.0000 -0.3116(3) 0.0151(7) Uani 1 3 d S . .
Ba07 Ba 0.89871(10) 0.47098(10) -0.04128(18) 0.0145(4) Uani 1 1 d . . .
Ba08 Ba 0.6667 0.3333 -0.8860(3) 0.0155(6) Uani 1 3 d S . .
Ba09 Ba 0.98094(10) 0.30768(10) 0.09813(19) 0.0155(4) Uani 1 1 d . . .
Ba10 Ba 0.87592(10) 0.39436(10) 0.29913(18) 0.0151(4) Uani 1 1 d . . .
Ba11 Ba 0.65605(12) -0.01756(12) 0.2283(3) 0.0399(7) Uani 1 1 d . . .
Mo1 Mo 0.76419(14) 0.20301(14) 0.1200(3) 0.0122(5) Uani 1 1 d . . .
Mo2 Mo 1.22880(14) 0.10589(14) -0.2863(3) 0.0101(5) Uani 1 1 d . . .
Mo3 Mo 0.89289(15) 0.44114(16) -0.3756(3) 0.0149(5) Uani 1 1 d . . .
N017 N 0.8796(17) 0.6097(17) -0.002(3) 0.029(7) Uani 1 1 d . . .
N019 N 0.8212(16) -0.0156(16) 0.286(2) 0.020(5) Uani 1 1 d . . .
N020 N 0.8286(15) 0.3090(15) 0.044(2) 0.018(5) Uiso 1 1 d . . .
N024 N 0.9270(14) 0.2029(14) -0.154(2) 0.011(5) Uiso 1 1 d . . .
N027 N 0.837(2) 0.485(2) -0.286(3) 0.035(8) Uani 1 1 d . . .
N031 N 1.1508(14) 0.0118(14) -0.373(2) 0.012(5) Uiso 1 1 d . . .
N034 N 0.8055(15) 0.4765(14) -0.794(2) 0.013(5) Uiso 1 1 d . . .
N36 N 1.3139(16) 0.1815(15) -0.403(3) 0.020(5) Uiso 1 1 d . . .
N21 N 0.8339(15) 0.1914(15) 0.240(2) 0.016(5) Uiso 1 1 d . . .
N23 N 0.9641(16) 0.4247(17) -0.264(3) 0.025(6) Uiso 1 1 d . . .
N15 N 0.8129(15) 0.3462(15) -0.457(2) 0.017(5) Uiso 1 1 d . . .
N6 N 0.942(2) 0.526(2) -0.503(3) 0.039(8) Uiso 1 1 d . . .
 
loop_
 _atom_site_aniso_label
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_23
 _atom_site_aniso_U_13
 _atom_site_aniso_U_12
Ba01 0.0064(7) 0.0071(7) 0.0185(10) 0.0003(7) 0.0001(6) 0.0021(6)
Ba02 0.0124(9) 0.0124(9) 0.0268(18) 0.000 0.000 0.0062(4)
Ba03 0.0125(8) 0.0103(8) 0.0199(10) 0.0000(7) -0.0012(7) 0.0075(7)
Ba04 0.0085(7) 0.0058(7) 0.0228(10) 0.0013(7) 0.0027(7) 0.0034(6)
Ba05 0.0124(8) 0.0093(7) 0.0238(10) -0.0008(7) 0.0029(7) 0.0065(7)
Ba06 0.0082(8) 0.0082(8) 0.0291(19) 0.000 0.000 0.0041(4)
Ba07 0.0097(8) 0.0069(7) 0.0257(10) -0.0003(7) 0.0013(7) 0.0032(6)
Ba08 0.0102(8) 0.0102(8) 0.0262(17) 0.000 0.000 0.0051(4)
Ba09 0.0091(7) 0.0087(7) 0.0302(10) -0.0006(7) -0.0001(7) 0.0055(6)
Ba10 0.0106(8) 0.0125(8) 0.0239(10) 0.0002(7) 0.0001(7) 0.0070(6)
Ba11 0.0176(10) 0.0119(9) 0.091(2) 0.0037(11) 0.0143(11) 0.0080(8)
Mo1 0.0055(10) 0.0075(11) 0.0224(15) 0.0016(10) -0.0005(11) 0.0022(9)
Mo2 0.0052(10) 0.0075(10) 0.0175(14) 0.0005(10) -0.0007(9) 0.0031(9)
Mo3 0.0094(10) 0.0116(11) 0.0234(15) -0.0069(11) -0.0018(11) 0.0050(9)
N017 0.033(15) 0.030(15) 0.041(18) 0.021(14) 0.016(13) 0.029(13)
N019 0.025(13) 0.022(13) 0.011(12) 0.016(11) 0.012(11) 0.009(11)
N027 0.053(19) 0.06(2) 0.018(14) -0.017(14) -0.015(14) 0.048(18)
 
_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_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Ba01 N019 2.64(3) . ?
Ba01 N21 2.67(2) . ?
Ba01 N024 2.74(2) 5_765 ?
Ba01 N031 2.87(2) 2_646 ?
Ba01 N36 2.89(3) 2_646 ?
Ba01 N031 3.08(2) 4_645 ?
Ba01 Mo2 3.457(3) 4_645 ?
Ba01 Mo2 3.498(3) 2_646 ?
Ba01 Ba03 3.794(2) 5_765 ?
Ba01 Ba09 3.795(2) 5_765 ?
Ba01 Ba03 3.803(2) 2_646 ?
Ba01 Ba05 3.994(2) 3_666 ?
Ba02 N15 2.79(2) . ?
Ba02 N15 2.79(2) 3_665 ?
Ba02 N15 2.79(2) 2_655 ?
Ba02 N027 3.06(3) 3_665 ?
Ba02 N027 3.06(3) . ?
Ba02 N027 3.06(3) 2_655 ?
Ba02 Mo3 3.616(2) . ?
Ba02 Mo3 3.616(2) 3_665 ?
Ba02 Mo3 3.616(2) 2_655 ?
Ba02 Ba05 4.021(2) 3_665 ?
Ba02 Ba05 4.021(2) . ?
Ba02 Ba05 4.021(2) 2_655 ?
Ba03 N017 2.72(3) 6_664 ?
Ba03 N019 2.77(2) 3_764 ?
Ba03 N031 2.78(2) 2_645 ?
Ba03 N024 2.85(2) 5_764 ?
Ba03 N019 3.00(2) 5_764 ?
Ba03 N21 3.14(2) 5_764 ?
Ba03 Mo2 3.446(3) 4_644 ?
Ba03 Mo1 3.526(3) 5_764 ?
Ba03 Ba11 3.673(3) 5_764 ?
Ba03 Mo2 3.687(3) . ?
Ba03 Ba09 3.786(2) 5_764 ?
Ba03 Ba01 3.794(2) 5_764 ?
Ba04 N024 2.70(2) 2_655 ?
Ba04 N020 2.74(3) 2_655 ?
Ba04 N027 2.78(3) . ?
Ba04 N017 2.98(3) . ?
Ba04 N36 3.06(3) 3_775 ?
Ba04 N23 3.07(3) 2_655 ?
Ba04 N15 3.17(2) 2_655 ?
Ba04 Mo2 3.477(3) 3_775 ?
Ba04 Mo1 3.478(3) 2_655 ?
Ba04 Mo3 3.530(3) 2_655 ?
Ba04 Ba05 3.807(3) . ?
Ba04 Ba11 3.825(3) 4_654 ?
Ba05 N6 2.64(3) . ?
Ba05 N36 2.66(3) 3_775 ?
Ba05 N15 2.70(2) 2_655 ?
Ba05 N21 2.85(2) 2_654 ?
Ba05 N034 2.87(2) . ?
Ba05 N027 3.06(3) . ?
Ba05 Mo3 3.478(3) . ?
Ba05 Mo1 3.511(3) 2_654 ?
Ba05 Ba10 3.746(2) 2_654 ?
Ba05 Ba10 3.911(2) 1_554 ?
Ba05 Ba11 3.949(3) 4_654 ?
Ba06 N031 2.75(2) 3_765 ?
Ba06 N031 2.75(2) . ?
Ba06 N031 2.75(2) 2_645 ?
Ba06 N019 3.32(3) 5_764 ?
Ba06 N019 3.32(3) 4_644 ?
Ba06 N019 3.32(3) 6_554 ?
Ba06 Mo2 3.663(2) . ?
Ba06 Mo2 3.663(2) 3_765 ?
Ba06 Mo2 3.663(2) 2_645 ?
Ba06 Ba03 4.016(2) 2_645 ?
Ba06 Ba03 4.016(2) 3_765 ?
Ba07 N6 2.65(3) 5_765 ?
Ba07 N020 2.74(2) . ?
Ba07 N017 2.78(3) . ?
Ba07 N027 2.86(3) . ?
Ba07 N23 2.93(3) . ?
Ba07 N034 3.12(2) 1_556 ?
Ba07 Mo1 3.493(3) 2_655 ?
Ba07 Mo3 3.515(3) . ?
Ba07 Ba10 3.758(3) . ?
Ba07 Mo3 3.778(3) 5_765 ?
Ba07 Ba11 3.807(3) 4_654 ?
Ba07 Ba04 3.910(2) 3_665 ?
Ba08 N034 2.77(2) 3_665 ?
Ba08 N034 2.77(2) . ?
Ba08 N034 2.77(2) 2_655 ?
Ba08 N020 3.31(2) 1_554 ?
Ba08 N020 3.31(2) 3_664 ?
Ba08 N020 3.31(2) 2_654 ?
Ba08 Mo1 3.648(2) 1_554 ?
Ba08 Mo1 3.648(2) 2_654 ?
Ba08 Mo1 3.648(2) 3_664 ?
Ba08 Ba10 3.937(2) 1_554 ?
Ba08 Ba10 3.937(2) 3_664 ?
Ba08 Ba10 3.937(2) 2_654 ?
Ba09 N23 2.85(3) 5_765 ?
Ba09 N020 2.87(2) . ?
Ba09 N21 2.88(2) . ?
Ba09 N024 3.11(2) . ?
Ba09 N031 3.23(2) 4_645 ?
Ba09 N024 3.29(2) 5_765 ?
Ba09 Mo1 3.466(3) . ?
Ba09 Mo2 3.493(3) 4_645 ?
Ba09 Ba10 3.709(2) . ?
Ba09 Ba03 3.786(2) 5_765 ?
Ba09 Ba01 3.795(2) 5_764 ?
Ba09 Mo3 3.849(3) 5_765 ?
Ba10 N034 2.62(2) 1_556 ?
Ba10 N23 2.65(3) 5_765 ?
Ba10 N15 2.75(3) 1_556 ?
Ba10 N6 2.93(3) 1_556 ?
Ba10 N020 2.98(3) . ?
Ba10 Mo3 3.468(3) 1_556 ?
Ba10 Mo1 3.589(3) . ?
Ba10 Ba05 3.746(2) 3_666 ?
Ba10 Ba05 3.911(2) 1_556 ?
Ba10 Ba08 3.937(2) 1_556 ?
Ba11 N36 2.80(3) 5_765 ?
Ba11 N027 2.95(4) 4_545 ?
Ba11 N019 3.08(3) . ?
Ba11 N6 3.22(3) 4_545 ?
Ba11 N017 3.25(3) 3_665 ?
Ba11 N017 3.25(3) 4_545 ?
Ba11 Mo2 3.522(3) 5_765 ?
Ba11 Mo3 3.610(3) 4_545 ?
Ba11 Ba03 3.673(3) 5_765 ?
Ba11 Mo1 3.695(3) . ?
Ba11 Ba07 3.807(3) 4_545 ?
Ba11 Ba04 3.825(3) 4_545 ?
Mo1 N017 1.83(3) 3_665 ?
Mo1 N034 1.87(2) 3_666 ?
Mo1 N020 1.88(2) . ?
Mo1 N21 1.88(2) . ?
Mo1 Ba04 3.478(3) 3_665 ?
Mo1 Ba07 3.493(3) 3_665 ?
Mo1 Ba05 3.511(3) 3_666 ?
Mo1 Ba03 3.526(3) 5_765 ?
Mo1 Ba08 3.648(2) 1_556 ?
Mo2 N031 1.84(2) . ?
Mo2 N019 1.87(3) 5_764 ?
Mo2 N024 1.88(2) 3_765 ?
Mo2 N36 1.92(3) . ?
Mo2 Ba03 3.446(3) 4_645 ?
Mo2 Ba01 3.457(3) 4_644 ?
Mo2 Ba04 3.477(3) 2_755 ?
Mo2 Ba09 3.493(3) 4_644 ?
Mo2 Ba01 3.498(3) 3_764 ?
Mo2 Ba11 3.522(3) 5_764 ?
Mo3 N15 1.83(2) . ?
Mo3 N027 1.85(3) . ?
Mo3 N23 1.88(3) . ?
Mo3 N6 1.90(3) . ?
Mo3 Ba10 3.468(3) 1_554 ?
Mo3 Ba04 3.530(3) 3_665 ?
Mo3 Ba11 3.610(3) 4_654 ?
Mo3 Ba07 3.778(3) 5_764 ?
Mo3 Ba09 3.849(3) 5_764 ?
N017 Mo1 1.83(3) 2_655 ?
N017 Ba03 2.72(3) 6_565 ?
N017 Ba11 3.25(3) 2_655 ?
N017 Ba11 3.25(3) 4_654 ?
N019 Mo2 1.87(3) 5_765 ?
N019 Ba03 2.77(2) 2_646 ?
N019 Ba03 3.00(2) 5_765 ?
N019 Ba06 3.32(3) 4_645 ?
N020 Ba04 2.74(3) 3_665 ?
N020 Ba08 3.31(2) 1_556 ?
N024 Mo2 1.88(2) 2_645 ?
N024 Ba04 2.70(2) 3_665 ?
N024 Ba01 2.74(2) 5_764 ?
N024 Ba03 2.85(2) 5_765 ?
N024 Ba09 3.29(2) 5_764 ?
N027 Ba11 2.95(4) 4_654 ?
N031 Ba03 2.78(2) 3_765 ?
N031 Ba01 2.87(2) 3_764 ?
N031 Ba01 3.08(2) 4_644 ?
N031 Ba09 3.23(2) 4_644 ?
N034 Mo1 1.87(2) 2_654 ?
N034 Ba10 2.62(2) 1_554 ?
N034 Ba07 3.12(2) 1_554 ?
N36 Ba05 2.66(3) 2_755 ?
N36 Ba11 2.80(3) 5_764 ?
N36 Ba01 2.89(3) 3_764 ?
N36 Ba04 3.06(3) 2_755 ?
N21 Ba05 2.85(2) 3_666 ?
N21 Ba03 3.14(2) 5_765 ?
N23 Ba10 2.65(3) 5_764 ?
N23 Ba09 2.85(3) 5_764 ?
N23 Ba04 3.07(3) 3_665 ?
N15 Ba05 2.70(2) 3_665 ?
N15 Ba10 2.75(3) 1_554 ?
N15 Ba04 3.17(2) 3_665 ?
N6 Ba07 2.65(3) 5_764 ?
N6 Ba10 2.93(3) 1_554 ?
N6 Ba11 3.22(3) 4_654 ?
 
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
N019 Ba01 N21 89.3(7) . . ?
N019 Ba01 N024 141.2(8) . 5_765 ?
N21 Ba01 N024 96.0(7) . 5_765 ?
N019 Ba01 N031 114.2(7) . 2_646 ?
N21 Ba01 N031 145.5(7) . 2_646 ?
N024 Ba01 N031 81.5(7) 5_765 2_646 ?
N019 Ba01 N36 100.3(7) . 2_646 ?
N21 Ba01 N36 87.2(7) . 2_646 ?
N024 Ba01 N36 118.3(7) 5_765 2_646 ?
N031 Ba01 N36 64.8(7) 2_646 2_646 ?
N019 Ba01 N031 80.1(7) . 4_645 ?
N21 Ba01 N031 84.9(7) . 4_645 ?
N024 Ba01 N031 62.3(7) 5_765 4_645 ?
N031 Ba01 N031 122.4(3) 2_646 4_645 ?
N36 Ba01 N031 172.1(7) 2_646 4_645 ?
N019 Ba01 Mo2 108.5(5) . 4_645 ?
N21 Ba01 Mo2 99.8(5) . 4_645 ?
N024 Ba01 Mo2 32.8(5) 5_765 4_645 ?
N031 Ba01 Mo2 96.3(5) 2_646 4_645 ?
N36 Ba01 Mo2 150.4(5) 2_646 4_645 ?
N031 Ba01 Mo2 32.1(4) 4_645 4_645 ?
N019 Ba01 Mo2 107.3(5) . 2_646 ?
N21 Ba01 Mo2 119.4(5) . 2_646 ?
N024 Ba01 Mo2 103.3(5) 5_765 2_646 ?
N031 Ba01 Mo2 31.7(4) 2_646 2_646 ?
N36 Ba01 Mo2 33.4(5) 2_646 2_646 ?
N031 Ba01 Mo2 154.1(4) 4_645 2_646 ?
Mo2 Ba01 Mo2 126.25(7) 4_645 2_646 ?
N019 Ba01 Ba03 52.0(5) . 5_765 ?
N21 Ba01 Ba03 54.8(5) . 5_765 ?
N024 Ba01 Ba03 101.3(5) 5_765 5_765 ?
N031 Ba01 Ba03 159.6(5) 2_646 5_765 ?
N36 Ba01 Ba03 128.1(5) 2_646 5_765 ?
N031 Ba01 Ba03 46.3(4) 4_645 5_765 ?
Mo2 Ba01 Ba03 77.33(6) 4_645 5_765 ?
Mo2 Ba01 Ba03 155.23(7) 2_646 5_765 ?
N019 Ba01 Ba09 163.7(5) . 5_765 ?
N21 Ba01 Ba09 94.8(5) . 5_765 ?
N024 Ba01 Ba09 54.0(5) 5_765 5_765 ?
N031 Ba01 Ba09 55.8(5) 2_646 5_765 ?
N36 Ba01 Ba09 64.3(5) 2_646 5_765 ?
N031 Ba01 Ba09 115.9(4) 4_645 5_765 ?
Mo2 Ba01 Ba09 86.39(6) 4_645 5_765 ?
Mo2 Ba01 Ba09 57.07(6) 2_646 5_765 ?
Ba03 Ba01 Ba09 141.27(6) 5_765 5_765 ?
N019 Ba01 Ba03 46.9(5) . 2_646 ?
N21 Ba01 Ba03 112.1(5) . 2_646 ?
N024 Ba01 Ba03 151.7(5) 5_765 2_646 ?
N031 Ba01 Ba03 73.5(5) 2_646 2_646 ?
N36 Ba01 Ba03 62.1(5) 2_646 2_646 ?
N031 Ba01 Ba03 121.7(4) 4_645 2_646 ?
Mo2 Ba01 Ba03 137.03(6) 4_645 2_646 ?
Mo2 Ba01 Ba03 60.49(5) 2_646 2_646 ?
Ba03 Ba01 Ba03 97.77(4) 5_765 2_646 ?
Ba09 Ba01 Ba03 117.43(6) 5_765 2_646 ?
N019 Ba01 Ba05 96.7(6) . 3_666 ?
N21 Ba01 Ba05 45.5(5) . 3_666 ?
N024 Ba01 Ba05 114.2(5) 5_765 3_666 ?
N031 Ba01 Ba05 104.2(5) 2_646 3_666 ?
N36 Ba01 Ba05 41.7(5) 2_646 3_666 ?
N031 Ba01 Ba05 130.3(4) 4_645 3_666 ?
Mo2 Ba01 Ba05 137.35(6) 4_645 3_666 ?
Mo2 Ba01 Ba05 74.40(6) 2_646 3_666 ?
Ba03 Ba01 Ba05 93.16(5) 5_765 3_666 ?
Ba09 Ba01 Ba05 75.43(5) 5_765 3_666 ?
Ba03 Ba01 Ba05 85.10(5) 2_646 3_666 ?
N15 Ba02 N15 106.7(6) . 3_665 ?
N15 Ba02 N15 106.7(6) . 2_655 ?
N15 Ba02 N15 106.7(6) 3_665 2_655 ?
N15 Ba02 N027 77.6(7) . 3_665 ?
N15 Ba02 N027 60.5(7) 3_665 3_665 ?
N15 Ba02 N027 167.1(7) 2_655 3_665 ?
N15 Ba02 N027 60.5(7) . . ?
N15 Ba02 N027 167.1(7) 3_665 . ?
N15 Ba02 N027 77.6(7) 2_655 . ?
N027 Ba02 N027 114.6(4) 3_665 . ?
N15 Ba02 N027 167.1(7) . 2_655 ?
N15 Ba02 N027 77.6(7) 3_665 2_655 ?
N15 Ba02 N027 60.5(7) 2_655 2_655 ?
N027 Ba02 N027 114.6(4) 3_665 2_655 ?
N027 Ba02 N027 114.6(4) . 2_655 ?
N15 Ba02 Mo3 29.9(5) . . ?
N15 Ba02 Mo3 136.6(5) 3_665 . ?
N15 Ba02 Mo3 94.4(5) 2_655 . ?
N027 Ba02 Mo3 94.8(5) 3_665 . ?
N027 Ba02 Mo3 30.7(5) . . ?
N027 Ba02 Mo3 144.7(5) 2_655 . ?
N15 Ba02 Mo3 94.4(5) . 3_665 ?
N15 Ba02 Mo3 29.9(5) 3_665 3_665 ?
N15 Ba02 Mo3 136.6(5) 2_655 3_665 ?
N027 Ba02 Mo3 30.7(5) 3_665 3_665 ?
N027 Ba02 Mo3 144.7(5) . 3_665 ?
N027 Ba02 Mo3 94.8(5) 2_655 3_665 ?
Mo3 Ba02 Mo3 119.688(15) . 3_665 ?
N15 Ba02 Mo3 136.6(5) . 2_655 ?
N15 Ba02 Mo3 94.4(5) 3_665 2_655 ?
N15 Ba02 Mo3 29.9(5) 2_655 2_655 ?
N027 Ba02 Mo3 144.7(5) 3_665 2_655 ?
N027 Ba02 Mo3 94.8(5) . 2_655 ?
N027 Ba02 Mo3 30.7(5) 2_655 2_655 ?
Mo3 Ba02 Mo3 119.688(15) . 2_655 ?
Mo3 Ba02 Mo3 119.687(15) 3_665 2_655 ?
N15 Ba02 Ba05 42.1(5) . 3_665 ?
N15 Ba02 Ba05 65.7(5) 3_665 3_665 ?
N15 Ba02 Ba05 126.9(5) 2_655 3_665 ?
N027 Ba02 Ba05 48.8(6) 3_665 3_665 ?
N027 Ba02 Ba05 101.9(5) . 3_665 ?
N027 Ba02 Ba05 143.2(5) 2_655 3_665 ?
Mo3 Ba02 Ba05 71.23(5) . 3_665 ?
Mo3 Ba02 Ba05 53.86(5) 3_665 3_665 ?
Mo3 Ba02 Ba05 145.99(11) 2_655 3_665 ?
N15 Ba02 Ba05 65.7(5) . . ?
N15 Ba02 Ba05 126.9(5) 3_665 . ?
N15 Ba02 Ba05 42.1(5) 2_655 . ?
N027 Ba02 Ba05 143.2(5) 3_665 . ?
N027 Ba02 Ba05 48.8(6) . . ?
N027 Ba02 Ba05 101.9(5) 2_655 . ?
Mo3 Ba02 Ba05 53.86(5) . . ?
Mo3 Ba02 Ba05 145.99(11) 3_665 . ?
Mo3 Ba02 Ba05 71.23(5) 2_655 . ?
Ba05 Ba02 Ba05 98.04(7) 3_665 . ?
N15 Ba02 Ba05 126.9(5) . 2_655 ?
N15 Ba02 Ba05 42.1(5) 3_665 2_655 ?
N15 Ba02 Ba05 65.7(5) 2_655 2_655 ?
N027 Ba02 Ba05 101.9(5) 3_665 2_655 ?
N027 Ba02 Ba05 143.2(5) . 2_655 ?
N027 Ba02 Ba05 48.8(6) 2_655 2_655 ?
Mo3 Ba02 Ba05 145.99(11) . 2_655 ?
Mo3 Ba02 Ba05 71.23(5) 3_665 2_655 ?
Mo3 Ba02 Ba05 53.86(5) 2_655 2_655 ?
Ba05 Ba02 Ba05 98.04(7) 3_665 2_655 ?
Ba05 Ba02 Ba05 98.04(7) . 2_655 ?
N017 Ba03 N019 94.4(8) 6_664 3_764 ?
N017 Ba03 N031 136.3(7) 6_664 2_645 ?
N019 Ba03 N031 111.9(7) 3_764 2_645 ?
N017 Ba03 N024 78.7(8) 6_664 5_764 ?
N019 Ba03 N024 65.8(7) 3_764 5_764 ?
N031 Ba03 N024 81.2(7) 2_645 5_764 ?
N017 Ba03 N019 110.7(8) 6_664 5_764 ?
N019 Ba03 N019 129.4(3) 3_764 5_764 ?
N031 Ba03 N019 79.4(7) 2_645 5_764 ?
N024 Ba03 N019 159.1(7) 5_764 5_764 ?
N017 Ba03 N21 61.8(7) 6_664 5_764 ?
N019 Ba03 N21 152.8(7) 3_764 5_764 ?
N031 Ba03 N21 81.9(6) 2_645 5_764 ?
N024 Ba03 N21 94.9(7) 5_764 5_764 ?
N019 Ba03 N21 74.8(7) 5_764 5_764 ?
N017 Ba03 Mo2 85.3(6) 6_664 4_644 ?
N019 Ba03 Mo2 32.8(6) 3_764 4_644 ?
N031 Ba03 Mo2 98.2(5) 2_645 4_644 ?
N024 Ba03 Mo2 33.0(5) 5_764 4_644 ?
N019 Ba03 Mo2 159.4(5) 5_764 4_644 ?
N21 Ba03 Mo2 125.3(4) 5_764 4_644 ?
N017 Ba03 Mo1 30.8(6) 6_664 5_764 ?
N019 Ba03 Mo1 121.7(6) 3_764 5_764 ?
N031 Ba03 Mo1 107.6(5) 2_645 5_764 ?
N024 Ba03 Mo1 80.3(5) 5_764 5_764 ?
N019 Ba03 Mo1 98.3(5) 5_764 5_764 ?
N21 Ba03 Mo1 32.1(4) 5_764 5_764 ?
Mo2 Ba03 Mo1 101.86(7) 4_644 5_764 ?
N017 Ba03 Ba11 58.9(6) 6_664 5_764 ?
N019 Ba03 Ba11 117.7(5) 3_764 5_764 ?
N031 Ba03 Ba11 126.3(5) 2_645 5_764 ?
N024 Ba03 Ba11 137.4(4) 5_764 5_764 ?
N019 Ba03 Ba11 53.9(5) 5_764 5_764 ?
N21 Ba03 Ba11 63.2(4) 5_764 5_764 ?
Mo2 Ba03 Ba11 134.96(8) 4_644 5_764 ?
Mo1 Ba03 Ba11 61.73(6) 5_764 5_764 ?
N017 Ba03 Mo2 113.7(6) 6_664 . ?
N019 Ba03 Mo2 99.7(6) 3_764 . ?
N031 Ba03 Mo2 96.1(5) 2_645 . ?
N024 Ba03 Mo2 162.4(5) 5_764 . ?
N019 Ba03 Mo2 30.3(5) 5_764 . ?
N21 Ba03 Mo2 102.0(4) 5_764 . ?
Mo2 Ba03 Mo2 131.92(7) 4_644 . ?
Mo1 Ba03 Mo2 116.89(8) 5_764 . ?
Ba11 Ba03 Mo2 57.19(5) 5_764 . ?
N017 Ba03 Ba09 80.6(5) 6_664 5_764 ?
N019 Ba03 Ba09 119.2(6) 3_764 5_764 ?
N031 Ba03 Ba09 56.4(5) 2_645 5_764 ?
N024 Ba03 Ba09 53.8(5) 5_764 5_764 ?
N019 Ba03 Ba09 108.1(5) 5_764 5_764 ?
N21 Ba03 Ba09 48.1(4) 5_764 5_764 ?
Mo2 Ba03 Ba09 86.68(6) 4_644 5_764 ?
Mo1 Ba03 Ba09 56.45(5) 5_764 5_764 ?
Ba11 Ba03 Ba09 110.79(6) 5_764 5_764 ?
Mo2 Ba03 Ba09 137.91(8) . 5_764 ?
N017 Ba03 Ba01 104.0(6) 6_664 5_764 ?
N019 Ba03 Ba01 161.6(6) 3_764 5_764 ?
N031 Ba03 Ba01 53.2(5) 2_645 5_764 ?
N024 Ba03 Ba01 116.7(5) 5_764 5_764 ?
N019 Ba03 Ba01 43.9(5) 5_764 5_764 ?
N21 Ba03 Ba01 44.0(4) 5_764 5_764 ?
Mo2 Ba03 Ba01 146.81(7) 4_644 5_764 ?
Mo1 Ba03 Ba01 75.94(6) 5_764 5_764 ?
Ba11 Ba03 Ba01 73.88(6) 5_764 5_764 ?
Mo2 Ba03 Ba01 73.83(6) . 5_764 ?
Ba09 Ba03 Ba01 64.19(5) 5_764 5_764 ?
N024 Ba04 N020 90.4(7) 2_655 2_655 ?
N024 Ba04 N027 131.9(9) 2_655 . ?
N020 Ba04 N027 112.9(8) 2_655 . ?
N024 Ba04 N017 76.7(7) 2_655 . ?
N020 Ba04 N017 64.2(7) 2_655 . ?
N027 Ba04 N017 77.0(8) . . ?
N024 Ba04 N36 65.4(7) 2_655 3_775 ?
N020 Ba04 N36 151.9(7) 2_655 3_775 ?
N027 Ba04 N36 77.6(9) . 3_775 ?
N017 Ba04 N36 94.9(7) . 3_775 ?
N024 Ba04 N23 86.4(7) 2_655 2_655 ?
N020 Ba04 N23 86.0(7) 2_655 2_655 ?
N027 Ba04 N23 134.3(8) . 2_655 ?
N017 Ba04 N23 145.2(7) . 2_655 ?
N36 Ba04 N23 105.5(7) 3_775 2_655 ?
N024 Ba04 N15 123.7(7) 2_655 2_655 ?
N020 Ba04 N15 126.6(7) 2_655 2_655 ?
N027 Ba04 N15 75.9(7) . 2_655 ?
N017 Ba04 N15 152.9(7) . 2_655 ?
N36 Ba04 N15 80.6(7) 3_775 2_655 ?
N23 Ba04 N15 60.3(7) 2_655 2_655 ?
N024 Ba04 Mo2 32.4(5) 2_655 3_775 ?
N020 Ba04 Mo2 120.1(5) 2_655 3_775 ?
N027 Ba04 Mo2 103.9(8) . 3_775 ?
N017 Ba04 Mo2 81.1(5) . 3_775 ?
N36 Ba04 Mo2 33.5(5) 3_775 3_775 ?
N23 Ba04 Mo2 100.6(5) 2_655 3_775 ?
N15 Ba04 Mo2 106.7(5) 2_655 3_775 ?
N024 Ba04 Mo1 83.1(5) 2_655 2_655 ?
N020 Ba04 Mo1 32.5(5) 2_655 2_655 ?
N027 Ba04 Mo1 94.7(6) . 2_655 ?
N017 Ba04 Mo1 31.8(5) . 2_655 ?
N36 Ba04 Mo1 124.9(5) 3_775 2_655 ?
N23 Ba04 Mo1 116.9(5) 2_655 2_655 ?
N15 Ba04 Mo1 150.9(5) 2_655 2_655 ?
Mo2 Ba04 Mo1 102.23(7) 3_775 2_655 ?
N024 Ba04 Mo3 114.7(5) 2_655 2_655 ?
N020 Ba04 Mo3 100.6(5) 2_655 2_655 ?
N027 Ba04 Mo3 102.1(6) . 2_655 ?
N017 Ba04 Mo3 162.0(5) . 2_655 ?
N36 Ba04 Mo3 102.5(5) 3_775 2_655 ?
N23 Ba04 Mo3 32.2(5) 2_655 2_655 ?
N15 Ba04 Mo3 31.2(4) 2_655 2_655 ?
Mo2 Ba04 Mo3 116.14(8) 3_775 2_655 ?
Mo1 Ba04 Mo3 132.21(7) 2_655 2_655 ?
N024 Ba04 Ba05 107.8(5) 2_655 . ?
N020 Ba04 Ba05 161.6(5) 2_655 . ?
N027 Ba04 Ba05 52.5(6) . . ?
N017 Ba04 Ba05 116.3(5) . . ?
N36 Ba04 Ba05 43.9(5) 3_775 . ?
N23 Ba04 Ba05 97.7(5) 2_655 . ?
N15 Ba04 Ba05 44.5(4) 2_655 . ?
Mo2 Ba04 Ba05 77.10(6) 3_775 . ?
Mo1 Ba04 Ba05 144.55(7) 2_655 . ?
Mo3 Ba04 Ba05 74.76(6) 2_655 . ?
N024 Ba04 Ba11 81.9(5) 2_655 4_654 ?
N020 Ba04 Ba11 119.5(5) 2_655 4_654 ?
N027 Ba04 Ba11 50.1(7) . 4_654 ?
N017 Ba04 Ba11 55.5(5) . 4_654 ?
N36 Ba04 Ba11 46.3(5) 3_775 4_654 ?
N23 Ba04 Ba11 151.8(5) 2_655 4_654 ?
N15 Ba04 Ba11 106.1(4) 2_655 4_654 ?
Mo2 Ba04 Ba11 57.45(5) 3_775 4_654 ?
Mo1 Ba04 Ba11 87.07(7) 2_655 4_654 ?
Mo3 Ba04 Ba11 137.05(9) 2_655 4_654 ?
Ba05 Ba04 Ba11 62.32(6) . 4_654 ?
N6 Ba05 N36 96.8(9) . 3_775 ?
N6 Ba05 N15 131.6(9) . 2_655 ?
N36 Ba05 N15 97.4(8) 3_775 2_655 ?
N6 Ba05 N21 121.8(8) . 2_654 ?
N36 Ba05 N21 88.1(7) 3_775 2_654 ?
N15 Ba05 N21 104.6(7) 2_655 2_654 ?
N6 Ba05 N034 85.2(8) . . ?
N36 Ba05 N034 147.9(7) 3_775 . ?
N15 Ba05 N034 105.1(7) 2_655 . ?
N21 Ba05 N034 64.4(6) 2_654 . ?
N6 Ba05 N027 58.8(9) . . ?
N36 Ba05 N027 79.5(8) 3_775 . ?
N15 Ba05 N027 78.9(8) 2_655 . ?
N21 Ba05 N027 167.5(7) 2_654 . ?
N034 Ba05 N027 126.9(7) . . ?
N6 Ba05 Mo3 32.6(7) . . ?
N36 Ba05 Mo3 101.2(6) 3_775 . ?
N15 Ba05 Mo3 99.2(5) 2_655 . ?
N21 Ba05 Mo3 153.1(5) 2_654 . ?
N034 Ba05 Mo3 97.6(5) . . ?
N027 Ba05 Mo3 32.0(5) . . ?
N6 Ba05 Mo1 106.7(7) . 2_654 ?
N36 Ba05 Mo1 119.4(6) 3_775 2_654 ?
N15 Ba05 Mo1 105.7(5) 2_655 2_654 ?
N21 Ba05 Mo1 32.3(5) 2_654 2_654 ?
N034 Ba05 Mo1 32.2(5) . 2_654 ?
N027 Ba05 Mo1 158.9(5) . 2_654 ?
Mo3 Ba05 Mo1 128.00(7) . 2_654 ?
N6 Ba05 Ba10 150.2(7) . 2_654 ?
N36 Ba05 Ba10 112.9(5) 3_775 2_654 ?
N15 Ba05 Ba10 47.1(5) 2_655 2_654 ?
N21 Ba05 Ba10 61.8(5) 2_654 2_654 ?
N034 Ba05 Ba10 69.8(5) . 2_654 ?
N027 Ba05 Ba10 124.9(6) . 2_654 ?
Mo3 Ba05 Ba10 133.17(7) . 2_654 ?
Mo1 Ba05 Ba10 59.18(5) 2_654 2_654 ?
N6 Ba05 Ba04 101.0(7) . . ?
N36 Ba05 Ba04 53.0(6) 3_775 . ?
N15 Ba05 Ba04 55.2(5) 2_655 . ?
N21 Ba05 Ba04 126.0(5) 2_654 . ?
N034 Ba05 Ba04 158.0(5) . . ?
N027 Ba05 Ba04 46.2(5) . . ?
Mo3 Ba05 Ba04 78.26(6) . . ?
Mo1 Ba05 Ba04 152.17(7) 2_654 . ?
Ba10 Ba05 Ba04 97.16(5) 2_654 . ?
N6 Ba05 Ba10 48.6(7) . 1_554 ?
N36 Ba05 Ba10 144.5(5) 3_775 1_554 ?
N15 Ba05 Ba10 111.7(5) 2_655 1_554 ?
N21 Ba05 Ba10 103.1(5) 2_654 1_554 ?
N034 Ba05 Ba10 42.1(5) . 1_554 ?
N027 Ba05 Ba10 86.3(5) . 1_554 ?
Mo3 Ba05 Ba10 55.61(6) . 1_554 ?
Mo1 Ba05 Ba10 72.80(6) 2_654 1_554 ?
Ba10 Ba05 Ba10 101.91(6) 2_654 1_554 ?
Ba04 Ba05 Ba10 130.61(6) . 1_554 ?
N6 Ba05 Ba11 54.1(7) . 4_654 ?
N36 Ba05 Ba11 45.1(5) 3_775 4_654 ?
N15 Ba05 Ba11 113.5(5) 2_655 4_654 ?
N21 Ba05 Ba11 121.0(5) 2_654 4_654 ?
N034 Ba05 Ba11 136.4(5) . 4_654 ?
N027 Ba05 Ba11 47.8(6) . 4_654 ?
Mo3 Ba05 Ba11 57.76(5) . 4_654 ?
Mo1 Ba05 Ba11 138.90(7) 2_654 4_654 ?
Ba10 Ba05 Ba11 153.71(7) 2_654 4_654 ?
Ba04 Ba05 Ba11 59.06(6) . 4_654 ?
Ba10 Ba05 Ba11 102.51(5) 1_554 4_654 ?
N031 Ba06 N031 114.8(4) 3_765 . ?
N031 Ba06 N031 114.8(4) 3_765 2_645 ?
N031 Ba06 N031 114.8(4) . 2_645 ?
N031 Ba06 N019 170.7(6) 3_765 5_764 ?
N031 Ba06 N019 59.5(6) . 5_764 ?
N031 Ba06 N019 74.4(6) 2_645 5_764 ?
N031 Ba06 N019 59.5(6) 3_765 4_644 ?
N031 Ba06 N019 74.4(6) . 4_644 ?
N031 Ba06 N019 170.7(6) 2_645 4_644 ?
N019 Ba06 N019 111.2(4) 5_764 4_644 ?
N031 Ba06 N019 74.4(6) 3_765 6_554 ?
N031 Ba06 N019 170.7(6) . 6_554 ?
N031 Ba06 N019 59.5(6) 2_645 6_554 ?
N019 Ba06 N019 111.2(4) 5_764 6_554 ?
N019 Ba06 N019 111.2(4) 4_644 6_554 ?
N031 Ba06 Mo2 142.8(5) 3_765 . ?
N031 Ba06 Mo2 29.2(5) . . ?
N031 Ba06 Mo2 97.3(5) 2_645 . ?
N019 Ba06 Mo2 30.5(5) 5_764 . ?
N019 Ba06 Mo2 90.7(4) 4_644 . ?
N019 Ba06 Mo2 141.5(4) 6_554 . ?
N031 Ba06 Mo2 29.2(5) 3_765 3_765 ?
N031 Ba06 Mo2 97.3(5) . 3_765 ?
N031 Ba06 Mo2 142.8(5) 2_645 3_765 ?
N019 Ba06 Mo2 141.5(4) 5_764 3_765 ?
N019 Ba06 Mo2 30.5(5) 4_644 3_765 ?
N019 Ba06 Mo2 90.7(4) 6_554 3_765 ?
Mo2 Ba06 Mo2 119.488(18) . 3_765 ?
N031 Ba06 Mo2 97.3(5) 3_765 2_645 ?
N031 Ba06 Mo2 142.8(5) . 2_645 ?
N031 Ba06 Mo2 29.2(5) 2_645 2_645 ?
N019 Ba06 Mo2 90.7(4) 5_764 2_645 ?
N019 Ba06 Mo2 141.5(4) 4_644 2_645 ?
N019 Ba06 Mo2 30.5(5) 6_554 2_645 ?
Mo2 Ba06 Mo2 119.488(18) . 2_645 ?
Mo2 Ba06 Mo2 119.488(18) 3_765 2_645 ?
N031 Ba06 Ba03 43.8(5) 3_765 2_645 ?
N031 Ba06 Ba03 140.3(5) . 2_645 ?
N031 Ba06 Ba03 71.0(5) 2_645 2_645 ?
N019 Ba06 Ba03 145.4(4) 5_764 2_645 ?
N019 Ba06 Ba03 102.8(5) 4_644 2_645 ?
N019 Ba06 Ba03 47.2(4) 6_554 2_645 ?
Mo2 Ba06 Ba03 158.87(11) . 2_645 ?
Mo2 Ba06 Ba03 72.28(5) 3_765 2_645 ?
Mo2 Ba06 Ba03 57.17(4) 2_645 2_645 ?
N031 Ba06 Ba03 140.3(5) 3_765 . ?
N031 Ba06 Ba03 71.0(5) . . ?
N031 Ba06 Ba03 43.8(5) 2_645 . ?
N019 Ba06 Ba03 47.2(4) 5_764 . ?
N019 Ba06 Ba03 145.4(4) 4_644 . ?
N019 Ba06 Ba03 102.8(5) 6_554 . ?
Mo2 Ba06 Ba03 57.17(4) . . ?
Mo2 Ba06 Ba03 158.87(11) 3_765 . ?
Mo2 Ba06 Ba03 72.28(5) 2_645 . ?
Ba03 Ba06 Ba03 105.12(6) 2_645 . ?
N031 Ba06 Ba03 71.0(5) 3_765 3_765 ?
N031 Ba06 Ba03 43.8(5) . 3_765 ?
N031 Ba06 Ba03 140.3(5) 2_645 3_765 ?
N019 Ba06 Ba03 102.8(5) 5_764 3_765 ?
N019 Ba06 Ba03 47.2(4) 4_644 3_765 ?
N019 Ba06 Ba03 145.4(4) 6_554 3_765 ?
Mo2 Ba06 Ba03 72.28(5) . 3_765 ?
Mo2 Ba06 Ba03 57.17(4) 3_765 3_765 ?
Mo2 Ba06 Ba03 158.87(11) 2_645 3_765 ?
Ba03 Ba06 Ba03 105.12(6) 2_645 3_765 ?
Ba03 Ba06 Ba03 105.12(6) . 3_765 ?
N6 Ba07 N020 122.7(9) 5_765 . ?
N6 Ba07 N017 81.8(9) 5_765 . ?
N020 Ba07 N017 138.2(8) . . ?
N6 Ba07 N027 113.5(10) 5_765 . ?
N020 Ba07 N027 113.3(9) . . ?
N017 Ba07 N027 79.1(9) . . ?
N6 Ba07 N23 83.7(8) 5_765 . ?
N020 Ba07 N23 88.8(7) . . ?
N017 Ba07 N23 130.1(8) . . ?
N027 Ba07 N23 63.9(8) . . ?
N6 Ba07 N034 105.3(8) 5_765 1_556 ?
N020 Ba07 N034 78.5(7) . 1_556 ?
N017 Ba07 N034 61.5(7) . 1_556 ?
N027 Ba07 N034 118.8(7) . 1_556 ?
N23 Ba07 N034 167.0(7) . 1_556 ?
N6 Ba07 Mo1 101.8(7) 5_765 2_655 ?
N020 Ba07 Mo1 106.8(5) . 2_655 ?
N017 Ba07 Mo1 31.4(6) . 2_655 ?
N027 Ba07 Mo1 93.0(6) . 2_655 ?
N23 Ba07 Mo1 156.2(5) . 2_655 ?
N034 Ba07 Mo1 32.3(4) 1_556 2_655 ?
N6 Ba07 Mo3 101.8(7) 5_765 . ?
N020 Ba07 Mo3 101.0(5) . . ?
N017 Ba07 Mo3 106.4(6) . . ?
N027 Ba07 Mo3 31.6(6) . . ?
N23 Ba07 Mo3 32.4(5) . . ?
N034 Ba07 Mo3 147.8(4) 1_556 . ?
Mo1 Ba07 Mo3 124.62(8) 2_655 . ?
N6 Ba07 Ba10 91.5(7) 5_765 . ?
N020 Ba07 Ba10 51.8(5) . . ?
N017 Ba07 Ba10 99.4(6) . . ?
N027 Ba07 Ba10 154.2(7) . . ?
N23 Ba07 Ba10 128.5(5) . . ?
N034 Ba07 Ba10 43.6(4) 1_556 . ?
Mo1 Ba07 Ba10 74.94(6) 2_655 . ?
Mo3 Ba07 Ba10 152.27(7) . . ?
N6 Ba07 Mo3 27.8(7) 5_765 5_765 ?
N020 Ba07 Mo3 95.7(5) . 5_765 ?
N017 Ba07 Mo3 99.1(6) . 5_765 ?
N027 Ba07 Mo3 138.6(7) . 5_765 ?
N23 Ba07 Mo3 89.0(5) . 5_765 ?
N034 Ba07 Mo3 94.8(4) 1_556 5_765 ?
Mo1 Ba07 Mo3 106.70(7) 2_655 5_765 ?
Mo3 Ba07 Mo3 117.15(6) . 5_765 ?
Ba10 Ba07 Mo3 67.24(6) . 5_765 ?
N6 Ba07 Ba11 66.2(7) 5_765 4_654 ?
N020 Ba07 Ba11 159.9(5) . 4_654 ?
N017 Ba07 Ba11 56.7(6) . 4_654 ?
N027 Ba07 Ba11 50.1(7) . 4_654 ?
N23 Ba07 Ba11 73.8(5) . 4_654 ?
N034 Ba07 Ba11 118.2(4) 1_556 4_654 ?
Mo1 Ba07 Ba11 87.13(6) 2_655 4_654 ?
Mo3 Ba07 Ba11 58.92(7) . 4_654 ?
Ba10 Ba07 Ba11 148.12(7) . 4_654 ?
Mo3 Ba07 Ba11 93.99(6) 5_765 4_654 ?
N6 Ba07 Ba04 126.1(7) 5_765 3_665 ?
N020 Ba07 Ba04 44.5(5) . 3_665 ?
N017 Ba07 Ba04 147.6(6) . 3_665 ?
N027 Ba07 Ba04 74.8(6) . 3_665 ?
N23 Ba07 Ba04 50.9(5) . 3_665 ?
N034 Ba07 Ba04 116.4(4) 1_556 3_665 ?
Mo1 Ba07 Ba04 131.69(6) 2_655 3_665 ?
Mo3 Ba07 Ba04 56.48(6) . 3_665 ?
Ba10 Ba07 Ba04 96.04(5) . 3_665 ?
Mo3 Ba07 Ba04 113.11(6) 5_765 3_665 ?
Ba11 Ba07 Ba04 115.39(7) 4_654 3_665 ?
N034 Ba08 N034 108.7(5) 3_665 . ?
N034 Ba08 N034 108.7(5) 3_665 2_655 ?
N034 Ba08 N034 108.7(5) . 2_655 ?
N034 Ba08 N020 60.5(6) 3_665 1_554 ?
N034 Ba08 N020 74.9(6) . 1_554 ?
N034 Ba08 N020 168.9(6) 2_655 1_554 ?
N034 Ba08 N020 74.9(6) 3_665 3_664 ?
N034 Ba08 N020 168.9(6) . 3_664 ?
N034 Ba08 N020 60.5(6) 2_655 3_664 ?
N020 Ba08 N020 115.3(3) 1_554 3_664 ?
N034 Ba08 N020 168.9(6) 3_665 2_654 ?
N034 Ba08 N020 60.5(6) . 2_654 ?
N034 Ba08 N020 74.9(6) 2_655 2_654 ?
N020 Ba08 N020 115.3(3) 1_554 2_654 ?
N020 Ba08 N020 115.3(3) 3_664 2_654 ?
N034 Ba08 Mo1 30.2(5) 3_665 1_554 ?
N034 Ba08 Mo1 95.5(5) . 1_554 ?
N034 Ba08 Mo1 138.6(5) 2_655 1_554 ?
N020 Ba08 Mo1 30.8(4) 1_554 1_554 ?
N020 Ba08 Mo1 92.3(4) 3_664 1_554 ?
N020 Ba08 Mo1 146.1(4) 2_654 1_554 ?
N034 Ba08 Mo1 138.6(5) 3_665 2_654 ?
N034 Ba08 Mo1 30.2(5) . 2_654 ?
N034 Ba08 Mo1 95.5(5) 2_655 2_654 ?
N020 Ba08 Mo1 92.3(4) 1_554 2_654 ?
N020 Ba08 Mo1 146.1(4) 3_664 2_654 ?
N020 Ba08 Mo1 30.8(4) 2_654 2_654 ?
Mo1 Ba08 Mo1 119.971(4) 1_554 2_654 ?
N034 Ba08 Mo1 95.5(5) 3_665 3_664 ?
N034 Ba08 Mo1 138.6(5) . 3_664 ?
N034 Ba08 Mo1 30.2(5) 2_655 3_664 ?
N020 Ba08 Mo1 146.1(4) 1_554 3_664 ?
N020 Ba08 Mo1 30.8(4) 3_664 3_664 ?
N020 Ba08 Mo1 92.3(4) 2_654 3_664 ?
Mo1 Ba08 Mo1 119.971(4) 1_554 3_664 ?
Mo1 Ba08 Mo1 119.971(4) 2_654 3_664 ?
N034 Ba08 Ba10 67.5(5) 3_665 1_554 ?
N034 Ba08 Ba10 41.6(5) . 1_554 ?
N034 Ba08 Ba10 128.4(5) 2_655 1_554 ?
N020 Ba08 Ba10 47.6(4) 1_554 1_554 ?
N020 Ba08 Ba10 142.2(4) 3_664 1_554 ?
N020 Ba08 Ba10 101.8(4) 2_654 1_554 ?
Mo1 Ba08 Ba10 56.32(5) 1_554 1_554 ?
Mo1 Ba08 Ba10 71.09(5) 2_654 1_554 ?
Mo1 Ba08 Ba10 148.59(10) 3_664 1_554 ?
N034 Ba08 Ba10 41.6(5) 3_665 3_664 ?
N034 Ba08 Ba10 128.4(5) . 3_664 ?
N034 Ba08 Ba10 67.5(5) 2_655 3_664 ?
N020 Ba08 Ba10 101.8(4) 1_554 3_664 ?
N020 Ba08 Ba10 47.6(4) 3_664 3_664 ?
N020 Ba08 Ba10 142.2(4) 2_654 3_664 ?
Mo1 Ba08 Ba10 71.09(5) 1_554 3_664 ?
Mo1 Ba08 Ba10 148.59(10) 2_654 3_664 ?
Mo1 Ba08 Ba10 56.32(5) 3_664 3_664 ?
Ba10 Ba08 Ba10 98.10(7) 1_554 3_664 ?
N034 Ba08 Ba10 128.4(5) 3_665 2_654 ?
N034 Ba08 Ba10 67.5(5) . 2_654 ?
N034 Ba08 Ba10 41.6(5) 2_655 2_654 ?
N020 Ba08 Ba10 142.2(4) 1_554 2_654 ?
N020 Ba08 Ba10 101.8(4) 3_664 2_654 ?
N020 Ba08 Ba10 47.6(4) 2_654 2_654 ?
Mo1 Ba08 Ba10 148.59(10) 1_554 2_654 ?
Mo1 Ba08 Ba10 56.32(5) 2_654 2_654 ?
Mo1 Ba08 Ba10 71.09(5) 3_664 2_654 ?
Ba10 Ba08 Ba10 98.10(7) 1_554 2_654 ?
Ba10 Ba08 Ba10 98.10(7) 3_664 2_654 ?
N23 Ba09 N020 87.4(7) 5_765 . ?
N23 Ba09 N21 102.4(7) 5_765 . ?
N020 Ba09 N21 63.1(7) . . ?
N23 Ba09 N024 151.6(7) 5_765 . ?
N020 Ba09 N024 80.2(7) . . ?
N21 Ba09 N024 94.7(7) . . ?
N23 Ba09 N031 134.6(7) 5_765 4_645 ?
N020 Ba09 N031 129.5(6) . 4_645 ?
N21 Ba09 N031 78.9(6) . 4_645 ?
N024 Ba09 N031 70.6(6) . 4_645 ?
N23 Ba09 N024 79.9(7) 5_765 5_765 ?
N020 Ba09 N024 138.2(7) . 5_765 ?
N21 Ba09 N024 81.0(6) . 5_765 ?
N024 Ba09 N024 125.6(7) . 5_765 ?
N031 Ba09 N024 55.3(6) 4_645 5_765 ?
N23 Ba09 Mo1 104.9(5) 5_765 . ?
N020 Ba09 Mo1 32.8(5) . . ?
N21 Ba09 Mo1 32.8(5) . . ?
N024 Ba09 Mo1 77.8(4) . . ?
N031 Ba09 Mo1 99.5(4) 4_645 . ?
N024 Ba09 Mo1 113.7(4) 5_765 . ?
N23 Ba09 Mo2 104.8(5) 5_765 4_645 ?
N020 Ba09 Mo2 156.9(5) . 4_645 ?
N21 Ba09 Mo2 94.8(5) . 4_645 ?
N024 Ba09 Mo2 96.0(4) . 4_645 ?
N031 Ba09 Mo2 31.5(4) 4_645 4_645 ?
N024 Ba09 Mo2 32.0(4) 5_765 4_645 ?
Mo1 Ba09 Mo2 124.15(8) . 4_645 ?
N23 Ba09 Ba10 45.3(5) 5_765 . ?
N020 Ba09 Ba10 52.0(5) . . ?
N21 Ba09 Ba10 62.1(5) . . ?
N024 Ba09 Ba10 132.0(4) . . ?
N031 Ba09 Ba10 134.1(4) 4_645 . ?
N024 Ba09 Ba10 93.5(4) 5_765 . ?
Mo1 Ba09 Ba10 59.91(5) . . ?
Mo2 Ba09 Ba10 125.38(7) 4_645 . ?
N23 Ba09 Ba03 156.3(5) 5_765 5_765 ?
N020 Ba09 Ba03 84.0(5) . 5_765 ?
N21 Ba09 Ba03 54.1(5) . 5_765 ?
N024 Ba09 Ba03 47.5(4) . 5_765 ?
N031 Ba09 Ba03 45.9(4) 4_645 5_765 ?
N024 Ba09 Ba03 91.9(4) 5_765 5_765 ?
Mo1 Ba09 Ba03 57.99(5) . 5_765 ?
Mo2 Ba09 Ba03 77.01(6) 4_645 5_765 ?
Ba10 Ba09 Ba03 114.00(6) . 5_765 ?
N23 Ba09 Ba01 136.0(5) 5_765 5_764 ?
N020 Ba09 Ba01 125.4(5) . 5_764 ?
N21 Ba09 Ba01 117.8(5) . 5_764 ?
N024 Ba09 Ba01 45.5(4) . 5_764 ?
N031 Ba09 Ba01 47.4(4) 4_645 5_764 ?
N024 Ba09 Ba01 89.1(4) 5_765 5_764 ?
Mo1 Ba09 Ba01 118.42(7) . 5_764 ?
Mo2 Ba09 Ba01 57.18(5) 4_645 5_764 ?
Ba10 Ba09 Ba01 177.34(7) . 5_764 ?
Ba03 Ba09 Ba01 65.27(4) 5_765 5_764 ?
N23 Ba09 Mo3 27.9(5) 5_765 5_765 ?
N020 Ba09 Mo3 92.0(5) . 5_765 ?
N21 Ba09 Mo3 128.4(5) . 5_765 ?
N024 Ba09 Mo3 126.6(4) . 5_765 ?
N031 Ba09 Mo3 138.5(4) 4_645 5_765 ?
N024 Ba09 Mo3 94.6(4) 5_765 5_765 ?
Mo1 Ba09 Mo3 120.02(7) . 5_765 ?
Mo2 Ba09 Mo3 108.08(7) 4_645 5_765 ?
Ba10 Ba09 Mo3 66.98(5) . 5_765 ?
Ba03 Ba09 Mo3 173.29(8) 5_765 5_765 ?
Ba01 Ba09 Mo3 113.42(6) 5_764 5_765 ?
N034 Ba10 N23 113.6(8) 1_556 5_765 ?
N034 Ba10 N15 106.0(7) 1_556 1_556 ?
N23 Ba10 N15 125.0(8) 5_765 1_556 ?
N034 Ba10 N6 84.4(8) 1_556 1_556 ?
N23 Ba10 N6 83.7(8) 5_765 1_556 ?
N15 Ba10 N6 63.4(8) 1_556 1_556 ?
N034 Ba10 N020 83.0(7) 1_556 . ?
N23 Ba10 N020 89.1(7) 5_765 . ?
N15 Ba10 N020 133.4(7) 1_556 . ?
N6 Ba10 N020 161.6(8) 1_556 . ?
N034 Ba10 Mo3 103.0(5) 1_556 1_556 ?
N23 Ba10 Mo3 100.8(6) 5_765 1_556 ?
N15 Ba10 Mo3 31.7(5) 1_556 1_556 ?
N6 Ba10 Mo3 33.1(6) 1_556 1_556 ?
N020 Ba10 Mo3 164.8(5) . 1_556 ?
N034 Ba10 Mo1 99.7(5) 1_556 . ?
N23 Ba10 Mo1 106.4(6) 5_765 . ?
N15 Ba10 Mo1 102.8(5) 1_556 . ?
N6 Ba10 Mo1 166.1(6) 1_556 . ?
N020 Ba10 Mo1 31.5(5) . . ?
Mo3 Ba10 Mo1 133.40(8) 1_556 . ?
N034 Ba10 Ba09 123.8(5) 1_556 . ?
N23 Ba10 Ba09 50.0(6) 5_765 . ?
N15 Ba10 Ba09 127.5(5) 1_556 . ?
N6 Ba10 Ba09 131.3(6) 1_556 . ?
N020 Ba10 Ba09 49.4(5) . . ?
Mo3 Ba10 Ba09 130.97(7) 1_556 . ?
Mo1 Ba10 Ba09 56.68(5) . . ?
N034 Ba10 Ba05 117.3(5) 1_556 3_666 ?
N23 Ba10 Ba05 128.3(6) 5_765 3_666 ?
N15 Ba10 Ba05 46.1(5) 1_556 3_666 ?
N6 Ba10 Ba05 109.2(6) 1_556 3_666 ?
N020 Ba10 Ba05 88.6(5) . 3_666 ?
Mo3 Ba10 Ba05 76.27(6) 1_556 3_666 ?
Mo1 Ba10 Ba05 57.16(6) . 3_666 ?
Ba09 Ba10 Ba05 92.73(5) . 3_666 ?
N034 Ba10 Ba07 55.3(5) 1_556 . ?
N23 Ba10 Ba07 72.7(6) 5_765 . ?
N15 Ba10 Ba07 160.4(5) 1_556 . ?
N6 Ba10 Ba07 115.4(6) 1_556 . ?
N020 Ba10 Ba07 46.2(5) . . ?
Mo3 Ba10 Ba07 147.92(7) 1_556 . ?
Mo1 Ba10 Ba07 77.34(6) . . ?
Ba09 Ba10 Ba07 69.26(5) . . ?
Ba05 Ba10 Ba07 132.88(6) 3_666 . ?
N034 Ba10 Ba05 47.3(5) 1_556 1_556 ?
N23 Ba10 Ba05 115.7(6) 5_765 1_556 ?
N15 Ba10 Ba05 67.8(5) 1_556 1_556 ?
N6 Ba10 Ba05 42.5(6) 1_556 1_556 ?
N020 Ba10 Ba05 129.5(5) . 1_556 ?
Mo3 Ba10 Ba05 55.86(6) 1_556 1_556 ?
Mo1 Ba10 Ba05 134.03(6) . 1_556 ?
Ba09 Ba10 Ba05 162.36(6) . 1_556 ?
Ba05 Ba10 Ba05 104.92(7) 3_666 1_556 ?
Ba07 Ba10 Ba05 97.77(5) . 1_556 ?
N034 Ba10 Ba08 44.6(5) 1_556 1_556 ?
N23 Ba10 Ba08 135.6(6) 5_765 1_556 ?
N15 Ba10 Ba08 99.5(5) 1_556 1_556 ?
N6 Ba10 Ba08 121.4(6) 1_556 1_556 ?
N020 Ba10 Ba08 55.1(4) . 1_556 ?
Mo3 Ba10 Ba08 120.15(7) 1_556 1_556 ?
Mo1 Ba10 Ba08 57.77(5) . 1_556 ?
Ba09 Ba10 Ba08 104.37(6) . 1_556 ?
Ba05 Ba10 Ba08 80.85(5) 3_666 1_556 ?
Ba07 Ba10 Ba08 63.62(6) . 1_556 ?
Ba05 Ba10 Ba08 78.86(5) 1_556 1_556 ?
N36 Ba11 N027 79.2(7) 5_765 4_545 ?
N36 Ba11 N019 62.4(7) 5_765 . ?
N027 Ba11 N019 128.3(7) 4_545 . ?
N36 Ba11 N6 82.2(8) 5_765 4_545 ?
N027 Ba11 N6 54.2(8) 4_545 4_545 ?
N019 Ba11 N6 140.0(8) . 4_545 ?
N36 Ba11 N017 93.8(7) 5_765 3_665 ?
N027 Ba11 N017 120.8(7) 4_545 3_665 ?
N019 Ba11 N017 96.1(6) . 3_665 ?
N6 Ba11 N017 66.7(7) 4_545 3_665 ?
N36 Ba11 N017 94.4(7) 5_765 4_545 ?
N027 Ba11 N017 70.5(8) 4_545 4_545 ?
N019 Ba11 N017 79.0(6) . 4_545 ?
N6 Ba11 N017 124.3(8) 4_545 4_545 ?
N017 Ba11 N017 167.2(7) 3_665 4_545 ?
N36 Ba11 Mo2 33.0(5) 5_765 5_765 ?
N027 Ba11 Mo2 99.2(5) 4_545 5_765 ?
N019 Ba11 Mo2 32.0(5) . 5_765 ?
N6 Ba11 Mo2 115.2(6) 4_545 5_765 ?
N017 Ba11 Mo2 105.4(5) 3_665 5_765 ?
N017 Ba11 Mo2 76.8(4) 4_545 5_765 ?
N36 Ba11 Mo3 95.4(5) 5_765 4_545 ?
N027 Ba11 Mo3 30.7(5) 4_545 4_545 ?
N019 Ba11 Mo3 156.0(5) . 4_545 ?
N6 Ba11 Mo3 31.6(6) 4_545 4_545 ?
N017 Ba11 Mo3 94.2(5) 3_665 4_545 ?
N017 Ba11 Mo3 94.8(5) 4_545 4_545 ?
Mo2 Ba11 Mo3 124.08(8) 5_765 4_545 ?
N36 Ba11 Ba03 64.6(5) 5_765 5_765 ?
N027 Ba11 Ba03 137.5(6) 4_545 5_765 ?
N019 Ba11 Ba03 51.9(4) . 5_765 ?
N6 Ba11 Ba03 97.5(6) 4_545 5_765 ?
N017 Ba11 Ba03 45.8(5) 3_665 5_765 ?
N017 Ba11 Ba03 131.0(5) 4_545 5_765 ?
Mo2 Ba11 Ba03 61.61(5) 5_765 5_765 ?
Mo3 Ba11 Ba03 129.07(11) 4_545 5_765 ?
N36 Ba11 Mo1 118.7(5) 5_765 . ?
N027 Ba11 Mo1 136.7(6) 4_545 . ?
N019 Ba11 Mo1 93.4(4) . . ?
N6 Ba11 Mo1 87.5(6) 4_545 . ?
N017 Ba11 Mo1 29.7(5) 3_665 . ?
N017 Ba11 Mo1 138.0(5) 4_545 . ?
Mo2 Ba11 Mo1 116.78(7) 5_765 . ?
Mo3 Ba11 Mo1 106.04(8) 4_545 . ?
Ba03 Ba11 Mo1 57.19(5) 5_765 . ?
N36 Ba11 Ba07 118.5(5) 5_765 4_545 ?
N027 Ba11 Ba07 48.0(5) 4_545 4_545 ?
N019 Ba11 Ba07 124.2(5) . 4_545 ?
N6 Ba11 Ba07 87.9(6) 4_545 4_545 ?
N017 Ba11 Ba07 136.1(5) 3_665 4_545 ?
N017 Ba11 Ba07 45.5(4) 4_545 4_545 ?
Mo2 Ba11 Ba07 117.90(8) 5_765 4_545 ?
Mo3 Ba11 Ba07 56.50(6) 4_545 4_545 ?
Ba03 Ba11 Ba07 174.12(10) 5_765 4_545 ?
Mo1 Ba11 Ba07 121.26(7) . 4_545 ?
N36 Ba11 Ba04 52.3(5) 5_765 4_545 ?
N027 Ba11 Ba04 46.3(5) 4_545 4_545 ?
N019 Ba11 Ba04 82.2(5) . 4_545 ?
N6 Ba11 Ba04 90.7(6) 4_545 4_545 ?
N017 Ba11 Ba04 142.7(5) 3_665 4_545 ?
N017 Ba11 Ba04 48.9(5) 4_545 4_545 ?
Mo2 Ba11 Ba04 56.30(5) 5_765 4_545 ?
Mo3 Ba11 Ba04 76.46(6) 4_545 4_545 ?
Ba03 Ba11 Ba04 114.42(6) 5_765 4_545 ?
Mo1 Ba11 Ba04 171.04(9) . 4_545 ?
Ba07 Ba11 Ba04 67.43(5) 4_545 4_545 ?
N017 Mo1 N034 110.0(10) 3_665 3_666 ?
N017 Mo1 N020 110.5(13) 3_665 . ?
N034 Mo1 N020 111.4(10) 3_666 . ?
N017 Mo1 N21 109.6(12) 3_665 . ?
N034 Mo1 N21 108.7(10) 3_666 . ?
N020 Mo1 N21 106.6(10) . . ?
N017 Mo1 Ba09 103.7(8) 3_665 . ?
N034 Mo1 Ba09 146.2(7) 3_666 . ?
N020 Mo1 Ba09 56.0(7) . . ?
N21 Mo1 Ba09 56.3(7) . . ?
N017 Mo1 Ba04 58.9(10) 3_665 3_665 ?
N034 Mo1 Ba04 126.5(7) 3_666 3_665 ?
N020 Mo1 Ba04 51.6(8) . 3_665 ?
N21 Mo1 Ba04 124.5(7) . 3_665 ?
Ba09 Mo1 Ba04 73.33(6) . 3_665 ?
N017 Mo1 Ba07 52.3(8) 3_665 3_665 ?
N034 Mo1 Ba07 63.0(7) 3_666 3_665 ?
N020 Mo1 Ba07 107.5(7) . 3_665 ?
N21 Mo1 Ba07 145.5(7) . 3_665 ?
Ba09 Mo1 Ba07 147.39(9) . 3_665 ?
Ba04 Mo1 Ba07 74.84(7) 3_665 3_665 ?
N017 Mo1 Ba05 129.8(10) 3_665 3_666 ?
N034 Mo1 Ba05 54.8(7) 3_666 3_666 ?
N020 Mo1 Ba05 119.6(8) . 3_666 ?
N21 Mo1 Ba05 54.1(7) . 3_666 ?
Ba09 Mo1 Ba05 101.29(8) . 3_666 ?
Ba04 Mo1 Ba05 171.20(9) 3_665 3_666 ?
Ba07 Mo1 Ba05 111.16(8) 3_665 3_666 ?
N017 Mo1 Ba03 49.6(9) 3_665 5_765 ?
N034 Mo1 Ba03 139.1(7) 3_666 5_765 ?
N020 Mo1 Ba03 109.2(7) . 5_765 ?
N21 Mo1 Ba03 62.5(7) . 5_765 ?
Ba09 Mo1 Ba03 65.56(6) . 5_765 ?
Ba04 Mo1 Ba03 77.41(7) 3_665 5_765 ?
Ba07 Mo1 Ba03 100.67(8) 3_665 5_765 ?
Ba05 Mo1 Ba03 107.02(8) 3_666 5_765 ?
N017 Mo1 Ba10 164.7(8) 3_665 . ?
N034 Mo1 Ba10 83.4(7) 3_666 . ?
N020 Mo1 Ba10 56.1(8) . . ?
N21 Mo1 Ba10 71.2(7) . . ?
Ba09 Mo1 Ba10 63.40(5) . . ?
Ba04 Mo1 Ba10 107.53(7) 3_665 . ?
Ba07 Mo1 Ba10 134.90(8) 3_665 . ?
Ba05 Mo1 Ba10 63.67(6) 3_666 . ?
Ba03 Mo1 Ba10 124.12(8) 5_765 . ?
N017 Mo1 Ba08 117.3(9) 3_665 1_556 ?
N034 Mo1 Ba08 48.0(7) 3_666 1_556 ?
N020 Mo1 Ba08 64.6(7) . 1_556 ?
N21 Mo1 Ba08 132.5(7) . 1_556 ?
Ba09 Mo1 Ba08 116.24(7) . 1_556 ?
Ba04 Mo1 Ba08 88.04(8) 3_665 1_556 ?
Ba07 Mo1 Ba08 69.23(6) 3_665 1_556 ?
Ba05 Mo1 Ba08 88.22(8) 3_666 1_556 ?
Ba03 Mo1 Ba08 164.24(11) 5_765 1_556 ?
Ba10 Mo1 Ba08 65.91(6) . 1_556 ?
N017 Mo1 Ba11 61.6(10) 3_665 . ?
N034 Mo1 Ba11 78.1(7) 3_666 . ?
N020 Mo1 Ba11 169.9(8) . . ?
N21 Mo1 Ba11 72.3(7) . . ?
Ba09 Mo1 Ba11 118.00(7) . . ?
Ba04 Mo1 Ba11 120.34(9) 3_665 . ?
Ba07 Mo1 Ba11 73.27(7) 3_665 . ?
Ba05 Mo1 Ba11 68.23(7) 3_666 . ?
Ba03 Mo1 Ba11 61.08(5) 5_765 . ?
Ba10 Mo1 Ba11 130.60(9) . . ?
Ba08 Mo1 Ba11 123.83(7) 1_556 . ?
N031 Mo2 N019 110.8(11) . 5_764 ?
N031 Mo2 N024 108.8(10) . 3_765 ?
N019 Mo2 N024 109.1(11) 5_764 3_765 ?
N031 Mo2 N36 109.9(11) . . ?
N019 Mo2 N36 107.3(11) 5_764 . ?
N024 Mo2 N36 110.8(11) 3_765 . ?
N031 Mo2 Ba03 127.2(7) . 4_645 ?
N019 Mo2 Ba03 53.5(7) 5_764 4_645 ?
N024 Mo2 Ba03 55.7(7) 3_765 4_645 ?
N36 Mo2 Ba03 122.8(8) . 4_645 ?
N031 Mo2 Ba01 62.6(7) . 4_644 ?
N019 Mo2 Ba01 103.3(8) 5_764 4_644 ?
N024 Mo2 Ba01 52.3(7) 3_765 4_644 ?
N36 Mo2 Ba01 148.9(8) . 4_644 ?
Ba03 Mo2 Ba01 72.63(7) 4_645 4_644 ?
N031 Mo2 Ba04 134.4(7) . 2_755 ?
N019 Mo2 Ba04 114.4(8) 5_764 2_755 ?
N024 Mo2 Ba04 50.4(7) 3_765 2_755 ?
N36 Mo2 Ba04 61.4(8) . 2_755 ?
Ba03 Mo2 Ba04 78.50(7) 4_645 2_755 ?
Ba01 Mo2 Ba04 100.86(7) 4_644 2_755 ?
N031 Mo2 Ba09 66.2(7) . 4_644 ?
N019 Mo2 Ba09 174.1(8) 5_764 4_644 ?
N024 Mo2 Ba09 68.2(7) 3_765 4_644 ?
N36 Mo2 Ba09 78.6(7) . 4_644 ?
Ba03 Mo2 Ba09 123.70(8) 4_645 4_644 ?
Ba01 Mo2 Ba09 70.83(6) 4_644 4_644 ?
Ba04 Mo2 Ba09 68.26(6) 2_755 4_644 ?
N031 Mo2 Ba01 55.0(7) . 3_764 ?
N019 Mo2 Ba01 117.2(7) 5_764 3_764 ?
N024 Mo2 Ba01 133.7(7) 3_765 3_764 ?
N36 Mo2 Ba01 55.6(8) . 3_764 ?
Ba03 Mo2 Ba01 170.53(9) 4_645 3_764 ?
Ba01 Mo2 Ba01 113.65(7) 4_644 3_764 ?
Ba04 Mo2 Ba01 106.36(8) 2_755 3_764 ?
Ba09 Mo2 Ba01 65.75(6) 4_644 3_764 ?
N031 Mo2 Ba11 147.5(7) . 5_764 ?
N019 Mo2 Ba11 60.9(8) 5_764 5_764 ?
N024 Mo2 Ba11 103.4(7) 3_765 5_764 ?
N36 Mo2 Ba11 52.4(8) . 5_764 ?
Ba03 Mo2 Ba11 75.52(7) 4_645 5_764 ?
Ba01 Mo2 Ba11 147.52(10) 4_644 5_764 ?
Ba04 Mo2 Ba11 66.25(6) 2_755 5_764 ?
Ba09 Mo2 Ba11 124.45(8) 4_644 5_764 ?
Ba01 Mo2 Ba11 98.75(8) 3_764 5_764 ?
N031 Mo2 Ba06 46.8(7) . . ?
N019 Mo2 Ba06 64.5(8) 5_764 . ?
N024 Mo2 Ba06 118.3(7) 3_765 . ?
N36 Mo2 Ba06 130.1(8) . . ?
Ba03 Mo2 Ba06 92.76(8) 4_645 . ?
Ba01 Mo2 Ba06 69.11(6) 4_644 . ?
Ba04 Mo2 Ba06 168.50(10) 2_755 . ?
Ba09 Mo2 Ba06 111.80(7) 4_644 . ?
Ba01 Mo2 Ba06 83.39(8) 3_764 . ?
Ba11 Mo2 Ba06 119.10(7) 5_764 . ?
N031 Mo2 Ba03 88.0(7) . . ?
N019 Mo2 Ba03 54.2(8) 5_764 . ?
N024 Mo2 Ba03 160.6(7) 3_765 . ?
N36 Mo2 Ba03 70.3(8) . . ?
Ba03 Mo2 Ba03 106.68(6) 4_645 . ?
Ba01 Mo2 Ba03 135.27(8) 4_644 . ?
Ba04 Mo2 Ba03 123.23(8) 2_755 . ?
Ba09 Mo2 Ba03 129.43(9) 4_644 . ?
Ba01 Mo2 Ba03 63.85(6) 3_764 . ?
Ba11 Mo2 Ba03 61.20(6) 5_764 . ?
Ba06 Mo2 Ba03 66.24(5) . . ?
N15 Mo3 N027 106.8(13) . . ?
N15 Mo3 N23 114.9(11) . . ?
N027 Mo3 N23 110.4(12) . . ?
N15 Mo3 N6 106.5(12) . . ?
N027 Mo3 N6 97.7(15) . . ?
N23 Mo3 N6 118.6(13) . . ?
N15 Mo3 Ba10 52.0(8) . 1_554 ?
N027 Mo3 Ba10 126.7(8) . 1_554 ?
N23 Mo3 Ba10 122.9(8) . 1_554 ?
N6 Mo3 Ba10 57.7(10) . 1_554 ?
N15 Mo3 Ba05 86.6(8) . . ?
N027 Mo3 Ba05 61.3(9) . . ?
N23 Mo3 Ba05 158.4(8) . . ?
N6 Mo3 Ba05 48.7(10) . . ?
Ba10 Mo3 Ba05 68.53(7) 1_554 . ?
N15 Mo3 Ba07 123.5(8) . . ?
N027 Mo3 Ba07 54.2(9) . . ?
N23 Mo3 Ba07 56.5(8) . . ?
N6 Mo3 Ba07 126.9(10) . . ?
Ba10 Mo3 Ba07 175.30(9) 1_554 . ?
Ba05 Mo3 Ba07 113.74(8) . . ?
N15 Mo3 Ba04 63.5(8) . 3_665 ?
N027 Mo3 Ba04 97.5(11) . 3_665 ?
N23 Mo3 Ba04 60.4(8) . 3_665 ?
N6 Mo3 Ba04 163.8(10) . 3_665 ?
Ba10 Mo3 Ba04 108.05(7) 1_554 3_665 ?
Ba05 Mo3 Ba04 137.52(8) . 3_665 ?
Ba07 Mo3 Ba04 67.41(7) . 3_665 ?
N15 Mo3 Ba11 153.1(8) . 4_654 ?
N027 Mo3 Ba11 54.6(11) . 4_654 ?
N23 Mo3 Ba11 91.1(8) . 4_654 ?
N6 Mo3 Ba11 62.7(10) . 4_654 ?
Ba10 Mo3 Ba11 119.99(9) 1_554 4_654 ?
Ba05 Mo3 Ba11 67.68(7) . 4_654 ?
Ba07 Mo3 Ba11 64.57(7) . 4_654 ?
Ba04 Mo3 Ba11 131.96(10) 3_665 4_654 ?
N15 Mo3 Ba02 49.2(8) . . ?
N027 Mo3 Ba02 57.9(10) . . ?
N23 Mo3 Ba02 125.6(8) . . ?
N6 Mo3 Ba02 115.7(10) . . ?
Ba10 Mo3 Ba02 88.99(8) 1_554 . ?
Ba05 Mo3 Ba02 69.03(6) . . ?
Ba07 Mo3 Ba02 88.11(9) . . ?
Ba04 Mo3 Ba02 68.58(6) 3_665 . ?
Ba11 Mo3 Ba02 110.77(7) 4_654 . ?
N15 Mo3 Ba07 118.3(8) . 5_764 ?
N027 Mo3 Ba07 124.2(11) . 5_764 ?
N23 Mo3 Ba07 79.4(8) . 5_764 ?
N6 Mo3 Ba07 40.7(10) . 5_764 ?
Ba10 Mo3 Ba07 69.52(6) 1_554 5_764 ?
Ba05 Mo3 Ba07 89.30(7) . 5_764 ?
Ba07 Mo3 Ba07 114.19(7) . 5_764 ?
Ba04 Mo3 Ba07 130.59(8) 3_665 5_764 ?
Ba11 Mo3 Ba07 71.00(6) 4_654 5_764 ?
Ba02 Mo3 Ba07 154.22(11) . 5_764 ?
N15 Mo3 Ba09 82.1(8) . 5_764 ?
N027 Mo3 Ba09 153.8(9) . 5_764 ?
N23 Mo3 Ba09 45.2(8) . 5_764 ?
N6 Mo3 Ba09 103.3(10) . 5_764 ?
Ba10 Mo3 Ba09 78.39(6) 1_554 5_764 ?
Ba05 Mo3 Ba09 144.84(9) . 5_764 ?
Ba07 Mo3 Ba09 100.16(8) . 5_764 ?
Ba04 Mo3 Ba09 63.83(6) 3_665 5_764 ?
Ba11 Mo3 Ba09 123.49(8) 4_654 5_764 ?
Ba02 Mo3 Ba09 123.29(7) . 5_764 ?
Ba07 Mo3 Ba09 67.60(5) 5_764 5_764 ?
Mo1 N017 Ba03 99.6(11) 2_655 6_565 ?
Mo1 N017 Ba07 96.3(10) 2_655 . ?
Ba03 N017 Ba07 158.2(11) 6_565 . ?
Mo1 N017 Ba04 89.3(10) 2_655 . ?
Ba03 N017 Ba04 100.3(8) 6_565 . ?
Ba07 N017 Ba04 94.7(9) . . ?
Mo1 N017 Ba11 88.6(11) 2_655 2_655 ?
Ba03 N017 Ba11 75.3(8) 6_565 2_655 ?
Ba07 N017 Ba11 90.4(7) . 2_655 ?
Ba04 N017 Ba11 174.7(10) . 2_655 ?
Mo1 N017 Ba11 163.1(16) 2_655 4_654 ?
Ba03 N017 Ba11 90.7(7) 6_565 4_654 ?
Ba07 N017 Ba11 77.8(7) . 4_654 ?
Ba04 N017 Ba11 75.6(7) . 4_654 ?
Ba11 N017 Ba11 107.1(8) 2_655 4_654 ?
Mo2 N019 Ba01 169.4(13) 5_765 . ?
Mo2 N019 Ba03 93.8(9) 5_765 2_646 ?
Ba01 N019 Ba03 89.1(8) . 2_646 ?
Mo2 N019 Ba03 95.5(10) 5_765 5_765 ?
Ba01 N019 Ba03 84.1(6) . 5_765 ?
Ba03 N019 Ba03 164.1(10) 2_646 5_765 ?
Mo2 N019 Ba11 87.1(10) 5_765 . ?
Ba01 N019 Ba11 102.9(8) . . ?
Ba03 N019 Ba11 93.4(7) 2_646 . ?
Ba03 N019 Ba11 74.2(6) 5_765 . ?
Mo2 N019 Ba06 85.0(9) 5_765 4_645 ?
Ba01 N019 Ba06 84.5(7) . 4_645 ?
Ba03 N019 Ba06 115.1(8) 2_646 4_645 ?
Ba03 N019 Ba06 78.7(6) 5_765 4_645 ?
Ba11 N019 Ba06 150.9(9) . 4_645 ?
Mo1 N020 Ba07 167.8(12) . . ?
Mo1 N020 Ba04 95.9(10) . 3_665 ?
Ba07 N020 Ba04 91.0(8) . 3_665 ?
Mo1 N020 Ba09 91.2(9) . . ?
Ba07 N020 Ba09 98.2(7) . . ?
Ba04 N020 Ba09 95.2(7) 3_665 . ?
Mo1 N020 Ba10 92.4(9) . . ?
Ba07 N020 Ba10 82.0(7) . . ?
Ba04 N020 Ba10 169.8(10) 3_665 . ?
Ba09 N020 Ba10 78.6(6) . . ?
Mo1 N020 Ba08 84.6(8) . 1_556 ?
Ba07 N020 Ba08 83.7(6) . 1_556 ?
Ba04 N020 Ba08 109.5(7) 3_665 1_556 ?
Ba09 N020 Ba08 155.3(9) . 1_556 ?
Ba10 N020 Ba08 77.3(6) . 1_556 ?
Mo2 N024 Ba04 97.1(9) 2_645 3_665 ?
Mo2 N024 Ba01 94.9(9) 2_645 5_764 ?
Ba04 N024 Ba01 157.8(9) 3_665 5_764 ?
Mo2 N024 Ba03 91.3(8) 2_645 5_765 ?
Ba04 N024 Ba03 104.3(7) 3_665 5_765 ?
Ba01 N024 Ba03 94.0(7) 5_764 5_765 ?
Mo2 N024 Ba09 168.6(11) 2_645 . ?
Ba04 N024 Ba09 90.7(6) 3_665 . ?
Ba01 N024 Ba09 80.5(6) 5_764 . ?
Ba03 N024 Ba09 78.7(6) 5_765 . ?
Mo2 N024 Ba09 79.9(8) 2_645 5_764 ?
Ba04 N024 Ba09 80.8(6) 3_665 5_764 ?
Ba01 N024 Ba09 83.1(6) 5_764 5_764 ?
Ba03 N024 Ba09 170.4(9) 5_765 5_764 ?
Ba09 N024 Ba09 109.6(7) . 5_764 ?
Mo3 N027 Ba04 167.9(15) . . ?
Mo3 N027 Ba07 94.2(10) . . ?
Ba04 N027 Ba07 97.4(8) . . ?
Mo3 N027 Ba11 94.8(13) . 4_654 ?
Ba04 N027 Ba11 83.6(8) . 4_654 ?
Ba07 N027 Ba11 81.9(8) . 4_654 ?
Mo3 N027 Ba05 86.7(10) . . ?
Ba04 N027 Ba05 81.3(7) . . ?
Ba07 N027 Ba05 164.0(14) . . ?
Ba11 N027 Ba05 82.2(9) 4_654 . ?
Mo3 N027 Ba02 91.4(11) . . ?
Ba04 N027 Ba02 87.0(9) . . ?
Ba07 N027 Ba02 113.7(11) . . ?
Ba11 N027 Ba02 162.8(11) 4_654 . ?
Ba05 N027 Ba02 82.2(7) . . ?
Mo2 N031 Ba06 104.0(10) . . ?
Mo2 N031 Ba03 157.3(12) . 3_765 ?
Ba06 N031 Ba03 93.0(7) . 3_765 ?
Mo2 N031 Ba01 93.3(9) . 3_764 ?
Ba06 N031 Ba01 115.9(8) . 3_764 ?
Ba03 N031 Ba01 92.6(7) 3_765 3_764 ?
Mo2 N031 Ba01 85.3(8) . 4_644 ?
Ba06 N031 Ba01 87.5(6) . 4_644 ?
Ba03 N031 Ba01 80.5(6) 3_765 4_644 ?
Ba01 N031 Ba01 156.0(9) 3_764 4_644 ?
Mo2 N031 Ba09 82.3(8) . 4_644 ?
Ba06 N031 Ba09 165.0(9) . 4_644 ?
Ba03 N031 Ba09 77.7(6) 3_765 4_644 ?
Ba01 N031 Ba09 76.8(6) 3_764 4_644 ?
Ba01 N031 Ba09 79.4(5) 4_644 4_644 ?
Mo1 N034 Ba10 158.3(12) 2_654 1_554 ?
Mo1 N034 Ba08 101.8(9) 2_654 . ?
Ba10 N034 Ba08 93.8(7) 1_554 . ?
Mo1 N034 Ba05 93.0(9) 2_654 . ?
Ba10 N034 Ba05 90.6(7) 1_554 . ?
Ba08 N034 Ba05 124.0(8) . . ?
Mo1 N034 Ba07 84.8(8) 2_654 1_554 ?
Ba10 N034 Ba07 81.2(6) 1_554 1_554 ?
Ba08 N034 Ba07 86.8(6) . 1_554 ?
Ba05 N034 Ba07 148.7(9) . 1_554 ?
Mo2 N36 Ba05 165.1(13) . 2_755 ?
Mo2 N36 Ba11 94.7(10) . 5_764 ?
Ba05 N36 Ba11 92.6(8) 2_755 5_764 ?
Mo2 N36 Ba01 91.0(9) . 3_764 ?
Ba05 N36 Ba01 92.0(8) 2_755 3_764 ?
Ba11 N36 Ba01 139.1(10) 5_764 3_764 ?
Mo2 N36 Ba04 85.2(9) . 2_755 ?
Ba05 N36 Ba04 83.1(7) 2_755 2_755 ?
Ba11 N36 Ba04 81.3(7) 5_764 2_755 ?
Ba01 N36 Ba04 139.5(9) 3_764 2_755 ?
Mo1 N21 Ba01 164.9(12) . . ?
Mo1 N21 Ba05 93.6(9) . 3_666 ?
Ba01 N21 Ba05 92.7(7) . 3_666 ?
Mo1 N21 Ba09 90.9(9) . . ?
Ba01 N21 Ba09 93.0(7) . . ?
Ba05 N21 Ba09 140.4(9) 3_666 . ?
Mo1 N21 Ba03 85.4(8) . 5_765 ?
Ba01 N21 Ba03 81.2(6) . 5_765 ?
Ba05 N21 Ba03 141.7(9) 3_666 5_765 ?
Ba09 N21 Ba03 77.8(6) . 5_765 ?
Mo3 N23 Ba10 133.3(13) . 5_764 ?
Mo3 N23 Ba09 106.9(11) . 5_764 ?
Ba10 N23 Ba09 84.7(7) 5_764 5_764 ?
Mo3 N23 Ba07 91.1(9) . . ?
Ba10 N23 Ba07 95.6(8) 5_764 . ?
Ba09 N23 Ba07 155.1(10) 5_764 . ?
Mo3 N23 Ba04 87.4(9) . 3_665 ?
Ba10 N23 Ba04 139.2(10) 5_764 3_665 ?
Ba09 N23 Ba04 82.5(7) 5_764 3_665 ?
Ba07 N23 Ba04 81.2(7) . 3_665 ?
Mo3 N15 Ba05 158.1(13) . 3_665 ?
Mo3 N15 Ba10 96.3(9) . 1_554 ?
Ba05 N15 Ba10 86.8(7) 3_665 1_554 ?
Mo3 N15 Ba02 100.9(10) . . ?
Ba05 N15 Ba02 94.1(7) 3_665 . ?
Ba10 N15 Ba02 127.5(9) 1_554 . ?
Mo3 N15 Ba04 85.3(9) . 3_665 ?
Ba05 N15 Ba04 80.4(6) 3_665 3_665 ?
Ba10 N15 Ba04 146.1(9) 1_554 3_665 ?
Ba02 N15 Ba04 84.8(6) . 3_665 ?
Mo3 N6 Ba05 98.7(13) . . ?
Mo3 N6 Ba07 111.4(14) . 5_764 ?
Ba05 N6 Ba07 149.5(13) . 5_764 ?
Mo3 N6 Ba10 89.1(11) . 1_554 ?
Ba05 N6 Ba10 88.9(9) . 1_554 ?
Ba07 N6 Ba10 95.6(10) 5_764 1_554 ?
Mo3 N6 Ba11 85.7(11) . 4_654 ?
Ba05 N6 Ba11 84.1(9) . 4_654 ?
Ba07 N6 Ba11 93.6(9) 5_764 4_654 ?
Ba10 N6 Ba11 170.6(12) 1_554 4_654 ?
 
_diffrn_measured_fraction_theta_max    0.996
_diffrn_reflns_theta_full              24.99
_diffrn_measured_fraction_theta_full   0.996
_refine_diff_density_max    3.132
_refine_diff_density_min   -2.667
_refine_diff_density_rms    0.571