 
data_a
 
_audit_creation_method            SHELXL-2014/6
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'Ba Eu K Mo3 O12' 
_chemical_formula_weight          808.22

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'K'  'K'   0.2009   0.2494
 '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'
 'Eu'  'Eu'  -0.1578   3.6682
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            15
_space_group_name_H-M_alt         'C 2/c'
_space_group_name_Hall            '-C 2yc'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'
 
_cell_length_a                    17.423(2)
_cell_length_b                    12.2473(8)
_cell_length_c                    5.3445(5)
_cell_angle_alpha                 90
_cell_angle_beta                  106.281(6)
_cell_angle_gamma                 90
_cell_volume                      1094.69(18)
_cell_formula_units_Z             4
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     1481
_cell_measurement_theta_min       2.4142
_cell_measurement_theta_max       27.4934
 
_exptl_crystal_description        'Prism'
_exptl_crystal_colour              'White'
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     4.904          
_exptl_crystal_F_000              1440
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.1500
_exptl_crystal_size_mid           0.1000
_exptl_crystal_size_min           0.1000
_exptl_absorpt_coefficient_mu     12.968
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    'Multi-scan'
_exptl_absorpt_correction_T_min   0.4648
_exptl_absorpt_correction_T_max   1.0000
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type    'CCD'
_diffrn_measurement_method        'CCD_Profile_fitting'
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             3306
_diffrn_reflns_av_unetI/netI      0.0161
_diffrn_reflns_av_R_equivalents   0.0199
_diffrn_reflns_limit_h_min        -20
_diffrn_reflns_limit_h_max        19
_diffrn_reflns_limit_k_min        -14
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -6
_diffrn_reflns_limit_l_max        6
_diffrn_reflns_theta_min          2.436
_diffrn_reflns_theta_max          24.995
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.950
_diffrn_measured_fraction_theta_full  0.923
_diffrn_reflns_Laue_measured_fraction_max    0.950
_diffrn_reflns_Laue_measured_fraction_full   0.923
_diffrn_reflns_point_group_measured_fraction_max   0.950
_diffrn_reflns_point_group_measured_fraction_full  0.923
_reflns_number_total              920
_reflns_number_gt                 888
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0500P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    none
_refine_ls_hydrogen_treatment     none
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          920
_refine_ls_number_parameters      85
_refine_ls_number_restraints      1
_refine_ls_R_factor_all           0.0272
_refine_ls_R_factor_gt            0.0264
_refine_ls_wR_factor_ref          0.0674
_refine_ls_wR_factor_gt           0.0668
_refine_ls_goodness_of_fit_ref    1.091
_refine_ls_restrained_S_all       1.090
_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_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Eu Eu 0.0000 0.88151(2) 0.2500 0.00587(17) Uani 1 2 d S T P . .
Mo1 Mo 0.15691(3) 0.88919(4) -0.09971(8) 0.00693(18) Uani 1 1 d . . . . .
Mo2 Mo 0.0000 0.64947(6) -0.2500 0.00745(19) Uani 1 2 d S T P . .
K K -0.16480(3) 0.62508(3) 0.07576(8) 0.0111(2) Uani 0.506(3) 1 d . . P . .
Ba Ba -0.16480(3) 0.62508(3) 0.07576(8) 0.0111(2) Uani 0.494(2) 1 d . . P . .
O1 O 0.07810(18) 0.5663(2) -0.0749(6) 0.0164(7) Uani 1 1 d . . . . .
O2 O 0.07643(17) 0.9613(2) -0.3429(5) 0.0090(6) Uani 1 1 d . . . . .
O3 O 0.23021(17) 0.9688(2) 0.1121(5) 0.0135(7) Uani 1 1 d . . . . .
O4 O 0.20612(16) 0.8012(2) -0.2564(5) 0.0133(6) Uani 1 1 d . . . . .
O5 O 0.11245(16) 0.8123(2) 0.1049(5) 0.0108(6) Uani 1 1 d . . . . .
O6 O -0.03932(16) 0.7289(2) -0.0343(5) 0.0121(7) Uani 1 1 d . . . . .
 
 
_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
Eu O6 2.385(3) . ?
Eu O6 2.385(3) 2 ?
Eu O2 2.416(3) 1_556 ?
Eu O2 2.416(3) 2_554 ?
Eu O5 2.451(3) 2 ?
Eu O5 2.451(3) . ?
Eu O2 2.469(3) 6_576 ?
Eu O2 2.469(3) 5_575 ?
Eu Mo1 3.7202(5) 2 ?
Eu Mo1 3.7203(5) . ?
Eu Mo1 3.7728(6) 1_556 ?
Eu Mo1 3.7728(6) 2_554 ?
Mo1 O4 1.732(3) . ?
Mo1 O3 1.747(3) . ?
Mo1 O5 1.777(3) . ?
Mo1 O2 1.848(3) . ?
Mo1 Eu 3.7728(6) 1_554 ?
Mo1 Eu 3.8437(7) 5_575 ?
Mo1 Ba 3.9635(8) 8_565 ?
Mo1 K 3.9635(8) 8_565 ?
Mo1 K 4.0528(8) 8_566 ?
Mo2 O1 1.746(3) 2_554 ?
Mo2 O1 1.746(3) . ?
Mo2 O6 1.785(3) . ?
Mo2 O6 1.785(3) 2_554 ?
Mo2 K 3.7639(5) . ?
Mo2 K 3.7640(5) 2_554 ?
Mo2 Ba 3.7640(5) 2_554 ?
Mo2 K 3.9392(6) 1_554 ?
Mo2 Ba 3.9392(6) 1_554 ?
Mo2 Ba 3.9392(6) 2 ?
Mo2 K 3.9392(6) 2 ?
K O3 2.692(3) 3_445 ?
K O4 2.719(3) 2_554 ?
K O6 2.732(3) . ?
K O1 2.767(3) 2 ?
K O1 2.790(3) 5_565 ?
K O4 2.794(3) 8_466 ?
K O5 2.852(3) 2 ?
K O3 2.876(3) 8_465 ?
K Mo2 3.9392(6) 1_556 ?
K Mo1 3.9636(8) 8_466 ?
K Mo1 4.0528(8) 8_465 ?
O1 Ba 2.767(3) 2 ?
O1 K 2.767(3) 2 ?
O1 K 2.790(3) 5_565 ?
O1 Ba 2.790(3) 5_565 ?
O2 Eu 2.416(3) 1_554 ?
O2 Eu 2.469(3) 5_575 ?
O3 Ba 2.692(3) 3 ?
O3 K 2.692(3) 3 ?
O3 Ba 2.876(3) 8_566 ?
O3 K 2.876(3) 8_566 ?
O4 Ba 2.719(3) 2_554 ?
O4 K 2.719(3) 2_554 ?
O4 Ba 2.794(3) 8_565 ?
O4 K 2.794(3) 8_565 ?
O5 Ba 2.852(3) 2 ?
O5 K 2.852(3) 2 ?
 
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
O6 Eu O6 76.79(14) . 2 ?
O6 Eu O2 151.41(10) . 1_556 ?
O6 Eu O2 75.88(9) 2 1_556 ?
O6 Eu O2 75.88(9) . 2_554 ?
O6 Eu O2 151.41(10) 2 2_554 ?
O2 Eu O2 132.27(13) 1_556 2_554 ?
O6 Eu O5 79.53(9) . 2 ?
O6 Eu O5 68.90(9) 2 2 ?
O2 Eu O5 98.19(9) 1_556 2 ?
O2 Eu O5 97.88(9) 2_554 2 ?
O6 Eu O5 68.90(9) . . ?
O6 Eu O5 79.53(9) 2 . ?
O2 Eu O5 97.88(9) 1_556 . ?
O2 Eu O5 98.19(9) 2_554 . ?
O5 Eu O5 139.57(13) 2 . ?
O6 Eu O2 123.90(9) . 6_576 ?
O6 Eu O2 131.63(9) 2 6_576 ?
O2 Eu O2 70.94(6) 1_556 6_576 ?
O2 Eu O2 72.29(11) 2_554 6_576 ?
O5 Eu O2 148.98(9) 2 6_576 ?
O5 Eu O2 71.45(9) . 6_576 ?
O6 Eu O2 131.63(9) . 5_575 ?
O6 Eu O2 123.90(9) 2 5_575 ?
O2 Eu O2 72.29(11) 1_556 5_575 ?
O2 Eu O2 70.94(6) 2_554 5_575 ?
O5 Eu O2 71.45(9) 2 5_575 ?
O5 Eu O2 148.98(9) . 5_575 ?
O2 Eu O2 77.55(13) 6_576 5_575 ?
O6 Eu Mo1 102.68(6) . 2 ?
O6 Eu Mo1 79.64(6) 2 2 ?
O2 Eu Mo1 80.47(6) 1_556 2 ?
O2 Eu Mo1 98.34(6) 2_554 2 ?
O5 Eu Mo1 23.77(6) 2 2 ?
O5 Eu Mo1 158.86(6) . 2 ?
O2 Eu Mo1 126.52(6) 6_576 2 ?
O2 Eu Mo1 50.62(6) 5_575 2 ?
O6 Eu Mo1 79.63(6) . . ?
O6 Eu Mo1 102.68(6) 2 . ?
O2 Eu Mo1 98.34(6) 1_556 . ?
O2 Eu Mo1 80.47(6) 2_554 . ?
O5 Eu Mo1 158.86(6) 2 . ?
O5 Eu Mo1 23.76(6) . . ?
O2 Eu Mo1 50.62(6) 6_576 . ?
O2 Eu Mo1 126.52(6) 5_575 . ?
Mo1 Eu Mo1 177.103(16) 2 . ?
O6 Eu Mo1 127.66(7) . 1_556 ?
O6 Eu Mo1 55.12(7) 2 1_556 ?
O2 Eu Mo1 23.98(7) 1_556 1_556 ?
O2 Eu Mo1 153.32(7) 2_554 1_556 ?
O5 Eu Mo1 98.87(6) 2 1_556 ?
O5 Eu Mo1 82.13(6) . 1_556 ?
O2 Eu Mo1 82.73(6) 6_576 1_556 ?
O2 Eu Mo1 95.03(6) 5_575 1_556 ?
Mo1 Eu Mo1 88.928(14) 2 1_556 ?
Mo1 Eu Mo1 90.999(14) . 1_556 ?
O6 Eu Mo1 55.12(7) . 2_554 ?
O6 Eu Mo1 127.66(7) 2 2_554 ?
O2 Eu Mo1 153.32(7) 1_556 2_554 ?
O2 Eu Mo1 23.98(7) 2_554 2_554 ?
O5 Eu Mo1 82.13(6) 2 2_554 ?
O5 Eu Mo1 98.87(6) . 2_554 ?
O2 Eu Mo1 95.03(6) 6_576 2_554 ?
O2 Eu Mo1 82.73(6) 5_575 2_554 ?
Mo1 Eu Mo1 91.000(14) 2 2_554 ?
Mo1 Eu Mo1 88.928(14) . 2_554 ?
Mo1 Eu Mo1 177.143(15) 1_556 2_554 ?
O4 Mo1 O3 106.83(14) . . ?
O4 Mo1 O5 109.17(14) . . ?
O3 Mo1 O5 105.23(12) . . ?
O4 Mo1 O2 109.78(12) . . ?
O3 Mo1 O2 117.48(13) . . ?
O5 Mo1 O2 108.08(12) . . ?
O4 Mo1 Eu 139.48(10) . . ?
O3 Mo1 Eu 101.26(9) . . ?
O5 Mo1 Eu 33.78(9) . . ?
O2 Mo1 Eu 81.13(8) . . ?
O4 Mo1 Eu 82.43(9) . 1_554 ?
O3 Mo1 Eu 145.07(9) . 1_554 ?
O5 Mo1 Eu 103.03(9) . 1_554 ?
O2 Mo1 Eu 32.11(8) . 1_554 ?
Eu Mo1 Eu 90.998(15) . 1_554 ?
O4 Mo1 Eu 140.62(9) . 5_575 ?
O3 Mo1 Eu 94.32(10) . 5_575 ?
O5 Mo1 Eu 96.22(9) . 5_575 ?
O2 Mo1 Eu 31.64(8) . 5_575 ?
Eu Mo1 Eu 62.851(11) . 5_575 ?
Eu Mo1 Eu 62.386(10) 1_554 5_575 ?
O4 Mo1 Ba 37.45(10) . 8_565 ?
O3 Mo1 Ba 77.75(9) . 8_565 ?
O5 Mo1 Ba 140.94(9) . 8_565 ?
O2 Mo1 Ba 104.28(8) . 8_565 ?
Eu Mo1 Ba 174.377(17) . 8_565 ?
Eu Mo1 Ba 92.876(13) 1_554 8_565 ?
Eu Mo1 Ba 122.652(14) 5_575 8_565 ?
O4 Mo1 K 37.45(10) . 8_565 ?
O3 Mo1 K 77.75(9) . 8_565 ?
O5 Mo1 K 140.94(9) . 8_565 ?
O2 Mo1 K 104.28(8) . 8_565 ?
Eu Mo1 K 174.377(17) . 8_565 ?
Eu Mo1 K 92.876(13) 1_554 8_565 ?
Eu Mo1 K 122.652(14) 5_575 8_565 ?
Ba Mo1 K 0.0 8_565 8_565 ?
O4 Mo1 K 92.53(10) . 8_566 ?
O3 Mo1 K 37.68(9) . 8_566 ?
O5 Mo1 K 77.67(9) . 8_566 ?
O2 Mo1 K 152.64(8) . 8_566 ?
Eu Mo1 K 92.240(13) . 8_566 ?
Eu Mo1 K 174.866(17) 1_554 8_566 ?
Eu Mo1 K 122.702(13) 5_575 8_566 ?
Ba Mo1 K 83.6 8_565 8_566 ?
K Mo1 K 83.619(17) 8_565 8_566 ?
O1 Mo2 O1 108.7(2) 2_554 . ?
O1 Mo2 O6 106.32(13) 2_554 . ?
O1 Mo2 O6 110.74(13) . . ?
O1 Mo2 O6 110.74(13) 2_554 2_554 ?
O1 Mo2 O6 106.32(13) . 2_554 ?
O6 Mo2 O6 113.98(19) . 2_554 ?
O1 Mo2 K 67.70(9) 2_554 . ?
O1 Mo2 K 106.67(9) . . ?
O6 Mo2 K 42.60(9) . . ?
O6 Mo2 K 145.34(9) 2_554 . ?
O1 Mo2 K 106.67(9) 2_554 2_554 ?
O1 Mo2 K 67.71(9) . 2_554 ?
O6 Mo2 K 145.34(9) . 2_554 ?
O6 Mo2 K 42.60(9) 2_554 2_554 ?
K Mo2 K 170.89(2) . 2_554 ?
O1 Mo2 Ba 106.67(9) 2_554 2_554 ?
O1 Mo2 Ba 67.71(9) . 2_554 ?
O6 Mo2 Ba 145.34(9) . 2_554 ?
O6 Mo2 Ba 42.60(9) 2_554 2_554 ?
K Mo2 Ba 170.9 . 2_554 ?
K Mo2 Ba 0.000(10) 2_554 2_554 ?
O1 Mo2 K 37.54(10) 2_554 1_554 ?
O1 Mo2 K 134.79(10) . 1_554 ?
O6 Mo2 K 108.59(9) . 1_554 ?
O6 Mo2 K 76.34(9) 2_554 1_554 ?
K Mo2 K 87.833(13) . 1_554 ?
K Mo2 K 91.477(13) 2_554 1_554 ?
Ba Mo2 K 91.5 2_554 1_554 ?
O1 Mo2 Ba 37.54(10) 2_554 1_554 ?
O1 Mo2 Ba 134.79(10) . 1_554 ?
O6 Mo2 Ba 108.59(9) . 1_554 ?
O6 Mo2 Ba 76.34(9) 2_554 1_554 ?
K Mo2 Ba 87.8 . 1_554 ?
K Mo2 Ba 91.477(13) 2_554 1_554 ?
Ba Mo2 Ba 91.477(13) 2_554 1_554 ?
K Mo2 Ba 0.000(12) 1_554 1_554 ?
O1 Mo2 Ba 134.79(10) 2_554 2 ?
O1 Mo2 Ba 37.54(10) . 2 ?
O6 Mo2 Ba 76.34(9) . 2 ?
O6 Mo2 Ba 108.59(9) 2_554 2 ?
K Mo2 Ba 91.5 . 2 ?
K Mo2 Ba 87.833(13) 2_554 2 ?
Ba Mo2 Ba 87.833(13) 2_554 2 ?
K Mo2 Ba 171.30(2) 1_554 2 ?
Ba Mo2 Ba 171.30(2) 1_554 2 ?
O1 Mo2 K 134.79(10) 2_554 2 ?
O1 Mo2 K 37.54(10) . 2 ?
O6 Mo2 K 76.34(9) . 2 ?
O6 Mo2 K 108.59(9) 2_554 2 ?
K Mo2 K 91.476(12) . 2 ?
K Mo2 K 87.833(13) 2_554 2 ?
Ba Mo2 K 87.8 2_554 2 ?
K Mo2 K 171.30(2) 1_554 2 ?
Ba Mo2 K 171.3 1_554 2 ?
Ba Mo2 K 0.0 2 2 ?
O3 K O4 122.92(9) 3_445 2_554 ?
O3 K O6 161.35(9) 3_445 . ?
O4 K O6 65.34(8) 2_554 . ?
O3 K O1 86.79(9) 3_445 2 ?
O4 K O1 142.02(9) 2_554 2 ?
O6 K O1 94.31(9) . 2 ?
O3 K O1 77.40(9) 3_445 5_565 ?
O4 K O1 135.55(8) 2_554 5_565 ?
O6 K O1 85.67(9) . 5_565 ?
O1 K O1 68.51(8) 2 5_565 ?
O3 K O4 65.30(9) 3_445 8_466 ?
O4 K O4 81.36(8) 2_554 8_466 ?
O6 K O4 133.10(8) . 8_466 ?
O1 K O4 92.60(8) 2 8_466 ?
O1 K O4 139.19(9) 5_565 8_466 ?
O3 K O5 129.68(8) 3_445 2 ?
O4 K O5 73.84(8) 2_554 2 ?
O6 K O5 67.26(8) . 2 ?
O1 K O5 68.62(8) 2 2 ?
O1 K O5 126.47(8) 5_565 2 ?
O4 K O5 72.49(8) 8_466 2 ?
O3 K O3 59.79(6) 3_445 8_465 ?
O4 K O3 77.52(8) 2_554 8_465 ?
O6 K O3 110.78(8) . 8_465 ?
O1 K O3 140.39(8) 2 8_465 ?
O1 K O3 82.90(8) 5_565 8_465 ?
O4 K O3 91.78(8) 8_466 8_465 ?
O5 K O3 148.97(8) 2 8_465 ?
O3 K Mo2 135.38(6) 3_445 . ?
O4 K Mo2 75.45(6) 2_554 . ?
O6 K Mo2 26.26(6) . . ?
O1 K Mo2 100.70(6) 2 . ?
O1 K Mo2 65.32(6) 5_565 . ?
O4 K Mo2 155.47(6) 8_466 . ?
O5 K Mo2 93.18(5) 2 . ?
O3 K Mo2 90.95(6) 8_465 . ?
O3 K Mo2 108.89(6) 3_445 1_556 ?
O4 K Mo2 120.72(6) 2_554 1_556 ?
O6 K Mo2 74.91(6) . 1_556 ?
O1 K Mo2 22.61(6) 2 1_556 ?
O1 K Mo2 78.99(6) 5_565 1_556 ?
O4 K Mo2 97.33(6) 8_466 1_556 ?
O5 K Mo2 50.41(6) 2 1_556 ?
O3 K Mo2 160.59(6) 8_465 1_556 ?
Mo2 K Mo2 87.834(13) . 1_556 ?
O3 K Mo1 45.99(6) 3_445 8_466 ?
O4 K Mo1 101.98(6) 2_554 8_466 ?
O6 K Mo1 152.55(6) . 8_466 ?
O1 K Mo1 81.35(6) 2 8_466 ?
O1 K Mo1 117.05(6) 5_565 8_466 ?
O4 K Mo1 22.14(6) 8_466 8_466 ?
O5 K Mo1 86.10(5) 2 8_466 ?
O3 K Mo1 88.41(6) 8_465 8_466 ?
Mo2 K Mo1 177.429(15) . 8_466 ?
Mo2 K Mo1 93.596(13) 1_556 8_466 ?
O3 K Mo1 70.54(6) 3_445 8_465 ?
O4 K Mo1 58.21(6) 2_554 8_465 ?
O6 K Mo1 106.74(6) . 8_465 ?
O1 K Mo1 157.30(6) 2 8_465 ?
O1 K Mo1 104.04(6) 5_565 8_465 ?
O4 K Mo1 79.34(6) 8_466 8_465 ?
O5 K Mo1 127.19(6) 2 8_465 ?
O3 K Mo1 21.80(6) 8_465 8_465 ?
Mo2 K Mo1 94.877(14) . 8_465 ?
Mo2 K Mo1 176.576(15) 1_556 8_465 ?
Mo1 K Mo1 83.617(17) 8_466 8_465 ?
Mo2 O1 Ba 119.85(14) . 2 ?
Mo2 O1 K 119.85(14) . 2 ?
Ba O1 K 0.0 2 2 ?
Mo2 O1 K 146.11(15) . 5_565 ?
Ba O1 K 94.0 2 5_565 ?
K O1 K 94.04(9) 2 5_565 ?
Mo2 O1 Ba 146.11(15) . 5_565 ?
Ba O1 Ba 94.04(9) 2 5_565 ?
K O1 Ba 94.04(9) 2 5_565 ?
K O1 Ba 0.000(19) 5_565 5_565 ?
Mo1 O2 Eu 123.91(13) . 1_554 ?
Mo1 O2 Eu 125.25(12) . 5_575 ?
Eu O2 Eu 107.72(11) 1_554 5_575 ?
Mo1 O3 Ba 137.59(13) . 3 ?
Mo1 O3 K 137.59(13) . 3 ?
Ba O3 K 0.0 3 3 ?
Mo1 O3 Ba 120.52(13) . 8_566 ?
Ba O3 Ba 93.76(9) 3 8_566 ?
K O3 Ba 93.76(9) 3 8_566 ?
Mo1 O3 K 120.52(13) . 8_566 ?
Ba O3 K 93.8 3 8_566 ?
K O3 K 93.76(9) 3 8_566 ?
Ba O3 K 0.0 8_566 8_566 ?
Mo1 O4 Ba 135.81(14) . 2_554 ?
Mo1 O4 K 135.81(14) . 2_554 ?
Ba O4 K 0.0 2_554 2_554 ?
Mo1 O4 Ba 120.40(14) . 8_565 ?
Ba O4 Ba 98.64(8) 2_554 8_565 ?
K O4 Ba 98.64(8) 2_554 8_565 ?
Mo1 O4 K 120.40(14) . 8_565 ?
Ba O4 K 98.6 2_554 8_565 ?
K O4 K 98.64(8) 2_554 8_565 ?
Ba O4 K 0.0 8_565 8_565 ?
Mo1 O5 Eu 122.46(14) . . ?
Mo1 O5 Ba 132.29(13) . 2 ?
Eu O5 Ba 103.80(9) . 2 ?
Mo1 O5 K 132.29(13) . 2 ?
Eu O5 K 103.80(9) . 2 ?
Ba O5 K 0.0 2 2 ?
Mo2 O6 Eu 138.13(14) . . ?
Mo2 O6 K 111.14(13) . . ?
Eu O6 K 109.39(10) . . ?
 
_refine_diff_density_max    1.346
_refine_diff_density_min   -2.777
_refine_diff_density_rms    0.372

_shelxl_version_number 2014/6



