 
data_a
 
_audit_creation_method            SHELXL-2014/6
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'Ba1.12 Eu K0.88 O12 W3' 
_chemical_formula_weight          1083.98

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'
 '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'
 'W'  'W'  -0.8490   6.8722
 '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                    17.536(3)
_cell_length_b                    12.1979(16)
_cell_length_c                    5.3452(9)
_cell_angle_alpha                 90
_cell_angle_beta                  105.801(8)
_cell_angle_gamma                 90
_cell_volume                      1100.1(3)
_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     6.545          
_exptl_crystal_F_000              1842
_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     41.211
_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  14.6306
_diffrn_reflns_number             4144
_diffrn_reflns_av_unetI/netI      0.0523
_diffrn_reflns_av_R_equivalents   0.0480
_diffrn_reflns_limit_h_min        -22
_diffrn_reflns_limit_h_max        22
_diffrn_reflns_limit_k_min        -15
_diffrn_reflns_limit_k_max        15
_diffrn_reflns_limit_l_min        -6
_diffrn_reflns_limit_l_max        5
_diffrn_reflns_theta_min          2.414
_diffrn_reflns_theta_max          27.476
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.991
_diffrn_measured_fraction_theta_full  0.994
_diffrn_reflns_Laue_measured_fraction_max    0.991
_diffrn_reflns_Laue_measured_fraction_full   0.994
_diffrn_reflns_point_group_measured_fraction_max   0.991
_diffrn_reflns_point_group_measured_fraction_full  0.994
_reflns_number_total              1249
_reflns_number_gt                 1162
_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)+(0.0375P)²+5.6194P] 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        0.00149(8)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          1249
_refine_ls_number_parameters      86
_refine_ls_number_restraints      1
_refine_ls_R_factor_all           0.0397
_refine_ls_R_factor_gt            0.0367
_refine_ls_wR_factor_ref          0.0849
_refine_ls_wR_factor_gt           0.0820
_refine_ls_goodness_of_fit_ref    1.134
_refine_ls_restrained_S_all       1.133
_refine_ls_shift/su_max           0.002
_refine_ls_shift/su_mean          0.001
 
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 0.87940(5) 0.2500 0.0072(2) Uani 1 2 d S T P . .
W1 W 0.15746(2) 0.89126(3) -0.09997(8) 0.00847(19) Uani 1 1 d . . . . .
W2 W 0.0000 0.64760(5) -0.2500 0.0091(2) Uani 1 2 d S T P . .
Ba Ba 0.16565(4) 0.62478(6) -0.57774(16) 0.0124(4) Uani 0.560(5) 1 d . . P . .
K K 0.16565(4) 0.62478(6) -0.57774(16) 0.0124(4) Uani 0.440(5) 1 d . . P . .
O1 O 0.0769(3) 0.9623(5) -0.3456(12) 0.0112(13) Uani 1 1 d . . . . .
O2 O 0.2713(3) 0.5297(5) -0.1286(12) 0.0189(14) Uani 1 1 d . . . . .
O3 O 0.1110(3) 0.8109(5) 0.0958(12) 0.0134(13) Uani 1 1 d . . . . .
O4 O -0.0403(3) 0.7280(5) -0.0343(12) 0.0151(14) Uani 1 1 d . . . . .
O5 O -0.0777(3) 0.4357(5) -0.9294(13) 0.0188(14) Uani 1 1 d . . . . .
O6 O 0.2071(3) 0.8018(5) -0.2548(13) 0.0164(14) 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 O4 2.374(6) 2 ?
Eu O4 2.374(6) . ?
Eu O1 2.434(6) 1_556 ?
Eu O1 2.434(6) 2_554 ?
Eu O3 2.458(6) . ?
Eu O3 2.458(6) 2 ?
Eu O1 2.487(6) 6_576 ?
Eu O1 2.487(6) 5_575 ?
Eu W1 3.7359(6) . ?
Eu W1 3.7360(6) 2 ?
Eu W1 3.8069(7) 1_556 ?
Eu W1 3.8069(7) 2_554 ?
W1 O6 1.740(6) . ?
W1 O2 1.775(6) 7_565 ?
W1 O3 1.785(6) . ?
W1 O1 1.860(6) . ?
W1 Eu 3.8069(7) 1_554 ?
W1 Eu 3.8583(8) 5_575 ?
W1 Ba 3.9418(10) 7_564 ?
W1 K 3.9418(10) 7_564 ?
W1 K 4.0820(11) 7_565 ?
W1 K 4.1271(9) 4_554 ?
W2 O5 1.759(6) 6_566 ?
W2 O5 1.759(6) 5_564 ?
W2 O4 1.799(6) . ?
W2 O4 1.799(6) 2_554 ?
W2 K 3.7889(9) 2_554 ?
W2 Ba 3.7889(9) 2_554 ?
W2 Ba 3.7889(9) . ?
W2 K 3.9678(10) 2_553 ?
W2 Ba 3.9678(10) 2_553 ?
W2 K 3.9678(10) 1_556 ?
W2 Ba 3.9678(10) 1_556 ?
Ba O2 2.708(6) 6_565 ?
Ba O6 2.736(6) . ?
Ba O4 2.736(6) 2_554 ?
Ba O5 2.766(7) 5_563 ?
Ba O6 2.769(6) 7_564 ?
Ba O5 2.781(6) 2_553 ?
Ba O2 2.849(6) . ?
Ba O3 2.864(6) 1_554 ?
Ba W1 3.9417(10) 7_564 ?
Ba W2 3.9678(10) 1_554 ?
Ba K 4.0509(12) 6_565 ?
O1 Eu 2.434(6) 1_554 ?
O1 Eu 2.487(6) 5_575 ?
O2 W1 1.775(6) 7_565 ?
O2 K 2.708(6) 6_566 ?
O2 Ba 2.708(6) 6_566 ?
O3 K 2.864(6) 1_556 ?
O3 Ba 2.864(6) 1_556 ?
O4 K 2.736(6) 2_554 ?
O4 Ba 2.736(6) 2_554 ?
O5 W2 1.759(6) 5_564 ?
O5 K 2.766(7) 5_563 ?
O5 Ba 2.766(7) 5_563 ?
O5 K 2.781(6) 2_553 ?
O5 Ba 2.781(6) 2_553 ?
O6 K 2.769(6) 7_564 ?
O6 Ba 2.769(6) 7_564 ?
 
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
O4 Eu O4 77.8(3) 2 . ?
O4 Eu O1 76.0(2) 2 1_556 ?
O4 Eu O1 152.6(2) . 1_556 ?
O4 Eu O1 152.6(2) 2 2_554 ?
O4 Eu O1 76.0(2) . 2_554 ?
O1 Eu O1 130.9(3) 1_556 2_554 ?
O4 Eu O3 79.9(2) 2 . ?
O4 Eu O3 69.26(18) . . ?
O1 Eu O3 98.12(19) 1_556 . ?
O1 Eu O3 98.1(2) 2_554 . ?
O4 Eu O3 69.25(18) 2 2 ?
O4 Eu O3 79.9(2) . 2 ?
O1 Eu O3 98.1(2) 1_556 2 ?
O1 Eu O3 98.12(19) 2_554 2 ?
O3 Eu O3 140.2(3) . 2 ?
O4 Eu O1 130.68(19) 2 6_576 ?
O4 Eu O1 123.8(2) . 6_576 ?
O1 Eu O1 70.09(12) 1_556 6_576 ?
O1 Eu O1 72.3(2) 2_554 6_576 ?
O3 Eu O1 70.83(18) . 6_576 ?
O3 Eu O1 148.93(18) 2 6_576 ?
O4 Eu O1 123.8(2) 2 5_575 ?
O4 Eu O1 130.68(19) . 5_575 ?
O1 Eu O1 72.3(2) 1_556 5_575 ?
O1 Eu O1 70.09(12) 2_554 5_575 ?
O3 Eu O1 148.93(18) . 5_575 ?
O3 Eu O1 70.83(18) 2 5_575 ?
O1 Eu O1 78.1(2) 6_576 5_575 ?
O4 Eu W1 102.63(14) 2 . ?
O4 Eu W1 80.89(14) . . ?
O1 Eu W1 97.01(13) 1_556 . ?
O1 Eu W1 81.13(13) 2_554 . ?
O3 Eu W1 23.72(14) . . ?
O3 Eu W1 160.37(14) 2 . ?
O1 Eu W1 49.51(13) 6_576 . ?
O1 Eu W1 126.10(13) 5_575 . ?
O4 Eu W1 80.89(14) 2 2 ?
O4 Eu W1 102.62(14) . 2 ?
O1 Eu W1 81.13(13) 1_556 2 ?
O1 Eu W1 97.01(13) 2_554 2 ?
O3 Eu W1 160.37(14) . 2 ?
O3 Eu W1 23.72(14) 2 2 ?
O1 Eu W1 126.10(13) 6_576 2 ?
O1 Eu W1 49.51(13) 5_575 2 ?
W1 Eu W1 175.56(2) . 2 ?
O4 Eu W1 55.23(15) 2 1_556 ?
O4 Eu W1 129.01(15) . 1_556 ?
O1 Eu W1 23.80(13) 1_556 1_556 ?
O1 Eu W1 152.05(13) 2_554 1_556 ?
O3 Eu W1 82.83(15) . 1_556 ?
O3 Eu W1 98.66(15) 2 1_556 ?
O1 Eu W1 81.89(14) 6_576 1_556 ?
O1 Eu W1 94.71(14) 5_575 1_556 ?
W1 Eu W1 90.244(16) . 1_556 ?
W1 Eu W1 89.588(16) 2 1_556 ?
O4 Eu W1 129.01(15) 2 2_554 ?
O4 Eu W1 55.23(15) . 2_554 ?
O1 Eu W1 152.05(13) 1_556 2_554 ?
O1 Eu W1 23.80(13) 2_554 2_554 ?
O3 Eu W1 98.66(15) . 2_554 ?
O3 Eu W1 82.83(15) 2 2_554 ?
O1 Eu W1 94.71(14) 6_576 2_554 ?
O1 Eu W1 81.89(14) 5_575 2_554 ?
W1 Eu W1 89.587(16) . 2_554 ?
W1 Eu W1 90.244(16) 2 2_554 ?
W1 Eu W1 175.65(2) 1_556 2_554 ?
O6 W1 O2 108.6(3) . 7_565 ?
O6 W1 O3 107.6(3) . . ?
O2 W1 O3 104.1(3) 7_565 . ?
O6 W1 O1 109.8(3) . . ?
O2 W1 O1 119.3(3) 7_565 . ?
O3 W1 O1 106.9(3) . . ?
O6 W1 Eu 138.41(19) . . ?
O2 W1 Eu 98.8(2) 7_565 . ?
O3 W1 Eu 33.64(18) . . ?
O1 W1 Eu 81.32(18) . . ?
O6 W1 Eu 82.8(2) . 1_554 ?
O2 W1 Eu 148.0(2) 7_565 1_554 ?
O3 W1 Eu 100.41(19) . 1_554 ?
O1 W1 Eu 31.88(18) . 1_554 ?
Eu W1 Eu 90.245(16) . 1_554 ?
O6 W1 Eu 141.1(2) . 5_575 ?
O2 W1 Eu 94.5(2) 7_565 5_575 ?
O3 W1 Eu 96.04(18) . 5_575 ?
O1 W1 Eu 32.07(18) . 5_575 ?
Eu W1 Eu 63.095(14) . 5_575 ?
Eu W1 Eu 62.464(15) 1_554 5_575 ?
O6 W1 Ba 37.40(19) . 7_564 ?
O2 W1 Ba 80.7(2) 7_565 7_564 ?
O3 W1 Ba 140.19(18) . 7_564 ?
O1 W1 Ba 104.54(18) . 7_564 ?
Eu W1 Ba 173.593(18) . 7_564 ?
Eu W1 Ba 93.482(19) 1_554 7_564 ?
Eu W1 Ba 123.293(17) 5_575 7_564 ?
O6 W1 K 37.40(19) . 7_564 ?
O2 W1 K 80.7(2) 7_565 7_564 ?
O3 W1 K 140.19(18) . 7_564 ?
O1 W1 K 104.54(18) . 7_564 ?
Eu W1 K 173.593(18) . 7_564 ?
Eu W1 K 93.482(19) 1_554 7_564 ?
Eu W1 K 123.293(17) 5_575 7_564 ?
Ba W1 K 0.000(19) 7_564 7_564 ?
O6 W1 K 92.0(2) . 7_565 ?
O2 W1 K 36.2(2) 7_565 7_565 ?
O3 W1 K 79.1(2) . 7_565 ?
O1 W1 K 153.66(18) . 7_565 ?
Eu W1 K 92.317(18) . 7_565 ?
Eu W1 K 174.357(17) 1_554 7_565 ?
Eu W1 K 123.166(16) 5_575 7_565 ?
Ba W1 K 83.52(2) 7_564 7_565 ?
K W1 K 83.52(2) 7_564 7_565 ?
O6 W1 K 95.75(19) . 4_554 ?
O2 W1 K 28.7(2) 7_565 4_554 ?
O3 W1 K 132.76(19) . 4_554 ?
O1 W1 K 102.67(16) . 4_554 ?
Eu W1 K 121.541(19) . 4_554 ?
Eu W1 K 123.309(18) 1_554 4_554 ?
Eu W1 K 89.880(19) 5_575 4_554 ?
Ba W1 K 60.22(2) 7_564 4_554 ?
K W1 K 60.22(2) 7_564 4_554 ?
K W1 K 59.13(2) 7_565 4_554 ?
O5 W2 O5 109.5(4) 6_566 5_564 ?
O5 W2 O4 106.4(3) 6_566 . ?
O5 W2 O4 110.3(3) 5_564 . ?
O5 W2 O4 110.3(3) 6_566 2_554 ?
O5 W2 O4 106.4(3) 5_564 2_554 ?
O4 W2 O4 113.9(4) . 2_554 ?
O5 W2 K 68.4(2) 6_566 2_554 ?
O5 W2 K 106.4(2) 5_564 2_554 ?
O4 W2 K 42.16(18) . 2_554 ?
O4 W2 K 145.22(18) 2_554 2_554 ?
O5 W2 Ba 68.4(2) 6_566 2_554 ?
O5 W2 Ba 106.4(2) 5_564 2_554 ?
O4 W2 Ba 42.16(18) . 2_554 ?
O4 W2 Ba 145.22(18) 2_554 2_554 ?
K W2 Ba 0.0 2_554 2_554 ?
O5 W2 Ba 106.4(2) 6_566 . ?
O5 W2 Ba 68.4(2) 5_564 . ?
O4 W2 Ba 145.22(18) . . ?
O4 W2 Ba 42.16(18) 2_554 . ?
K W2 Ba 171.6 2_554 . ?
Ba W2 Ba 171.57(3) 2_554 . ?
O5 W2 K 36.7(2) 6_566 2_553 ?
O5 W2 K 136.1(2) 5_564 2_553 ?
O4 W2 K 107.45(18) . 2_553 ?
O4 W2 K 77.09(18) 2_554 2_553 ?
K W2 K 87.087(19) 2_554 2_553 ?
Ba W2 K 87.087(19) 2_554 2_553 ?
Ba W2 K 92.3 . 2_553 ?
O5 W2 Ba 36.7(2) 6_566 2_553 ?
O5 W2 Ba 136.1(2) 5_564 2_553 ?
O4 W2 Ba 107.45(18) . 2_553 ?
O4 W2 Ba 77.09(18) 2_554 2_553 ?
K W2 Ba 87.1 2_554 2_553 ?
Ba W2 Ba 87.087(19) 2_554 2_553 ?
Ba W2 Ba 92.32(2) . 2_553 ?
K W2 Ba 0.0 2_553 2_553 ?
O5 W2 K 136.1(2) 6_566 1_556 ?
O5 W2 K 36.7(2) 5_564 1_556 ?
O4 W2 K 77.09(18) . 1_556 ?
O4 W2 K 107.46(18) 2_554 1_556 ?
K W2 K 92.32(2) 2_554 1_556 ?
Ba W2 K 92.32(2) 2_554 1_556 ?
Ba W2 K 87.1 . 1_556 ?
K W2 K 171.95(3) 2_553 1_556 ?
Ba W2 K 171.95(3) 2_553 1_556 ?
O5 W2 Ba 136.1(2) 6_566 1_556 ?
O5 W2 Ba 36.7(2) 5_564 1_556 ?
O4 W2 Ba 77.09(18) . 1_556 ?
O4 W2 Ba 107.46(18) 2_554 1_556 ?
K W2 Ba 92.3 2_554 1_556 ?
Ba W2 Ba 92.32(2) 2_554 1_556 ?
Ba W2 Ba 87.087(19) . 1_556 ?
K W2 Ba 172.0 2_553 1_556 ?
Ba W2 Ba 171.95(3) 2_553 1_556 ?
K W2 Ba 0.0 1_556 1_556 ?
O2 Ba O6 122.75(18) 6_565 . ?
O2 Ba O4 162.60(19) 6_565 2_554 ?
O6 Ba O4 65.81(17) . 2_554 ?
O2 Ba O5 86.45(18) 6_565 5_563 ?
O6 Ba O5 142.63(18) . 5_563 ?
O4 Ba O5 93.34(18) 2_554 5_563 ?
O2 Ba O6 63.84(18) 6_565 7_564 ?
O6 Ba O6 81.35(19) . 7_564 ?
O4 Ba O6 133.44(18) 2_554 7_564 ?
O5 Ba O6 93.88(19) 5_563 7_564 ?
O2 Ba O5 79.71(19) 6_565 2_553 ?
O6 Ba O5 134.35(18) . 2_553 ?
O4 Ba O5 84.10(18) 2_554 2_553 ?
O5 Ba O5 67.94(15) 5_563 2_553 ?
O6 Ba O5 140.48(19) 7_564 2_553 ?
O2 Ba O2 59.71(12) 6_565 . ?
O6 Ba O2 77.85(19) . . ?
O4 Ba O2 112.30(18) 2_554 . ?
O5 Ba O2 139.47(19) 5_563 . ?
O6 Ba O2 90.44(17) 7_564 . ?
O5 Ba O2 83.49(18) 2_553 . ?
O2 Ba O3 127.94(18) 6_565 1_554 ?
O6 Ba O3 75.31(18) . 1_554 ?
O4 Ba O3 67.26(18) 2_554 1_554 ?
O5 Ba O3 67.89(17) 5_563 1_554 ?
O6 Ba O3 73.27(17) 7_564 1_554 ?
O5 Ba O3 124.81(17) 2_553 1_554 ?
O2 Ba O3 150.32(17) . 1_554 ?
O2 Ba W2 136.83(14) 6_565 . ?
O6 Ba W2 75.87(12) . . ?
O4 Ba W2 26.18(13) 2_554 . ?
O5 Ba W2 99.27(13) 5_563 . ?
O6 Ba W2 155.82(13) 7_564 . ?
O5 Ba W2 63.69(13) 2_553 . ?
O2 Ba W2 92.57(12) . . ?
O3 Ba W2 92.98(11) 1_554 . ?
O2 Ba W1 43.96(14) 6_565 7_564 ?
O6 Ba W1 102.08(12) . 7_564 ?
O4 Ba W1 153.23(13) 2_554 7_564 ?
O5 Ba W1 82.62(13) 5_563 7_564 ?
O6 Ba W1 22.43(13) 7_564 7_564 ?
O5 Ba W1 118.05(13) 2_553 7_564 ?
O2 Ba W1 86.53(12) . 7_564 ?
O3 Ba W1 86.88(11) 1_554 7_564 ?
W2 Ba W1 177.90(2) . 7_564 ?
O2 Ba W2 108.06(13) 6_565 1_554 ?
O6 Ba W2 121.28(13) . 1_554 ?
O4 Ba W2 74.48(13) 2_554 1_554 ?
O5 Ba W2 22.37(12) 5_563 1_554 ?
O6 Ba W2 98.06(13) 7_564 1_554 ?
O5 Ba W2 78.38(13) 2_553 1_554 ?
O2 Ba W2 159.94(13) . 1_554 ?
O3 Ba W2 49.58(12) 1_554 1_554 ?
W2 Ba W2 87.086(19) . 1_554 ?
W1 Ba W2 94.41(2) 7_564 1_554 ?
O2 Ba K 44.59(13) 6_565 6_565 ?
O6 Ba K 164.04(12) . 6_565 ?
O4 Ba K 129.37(13) 2_554 6_565 ?
O5 Ba K 43.24(12) 5_563 6_565 ?
O6 Ba K 83.40(13) 7_564 6_565 ?
O5 Ba K 59.02(14) 2_553 6_565 ?
O2 Ba K 97.65(14) . 6_565 ?
O3 Ba K 104.69(12) 1_554 6_565 ?
W2 Ba K 119.87(2) . 6_565 ?
W1 Ba K 62.160(10) 7_564 6_565 ?
W2 Ba K 65.590(12) 1_554 6_565 ?
W1 O1 Eu 124.3(3) . 1_554 ?
W1 O1 Eu 124.5(3) . 5_575 ?
Eu O1 Eu 107.7(2) 1_554 5_575 ?
W1 O2 K 132.9(3) 7_565 6_566 ?
W1 O2 Ba 132.9(3) 7_565 6_566 ?
K O2 Ba 0.0 6_566 6_566 ?
W1 O2 Ba 122.2(3) 7_565 . ?
K O2 Ba 93.6 6_566 . ?
Ba O2 Ba 93.56(17) 6_566 . ?
W1 O3 Eu 122.6(3) . . ?
W1 O3 K 131.5(3) . 1_556 ?
Eu O3 K 103.3(2) . 1_556 ?
W1 O3 Ba 131.5(3) . 1_556 ?
Eu O3 Ba 103.3(2) . 1_556 ?
K O3 Ba 0.0 1_556 1_556 ?
W2 O4 Eu 137.2(3) . . ?
W2 O4 K 111.7(3) . 2_554 ?
Eu O4 K 109.6(2) . 2_554 ?
W2 O4 Ba 111.7(3) . 2_554 ?
Eu O4 Ba 109.6(2) . 2_554 ?
K O4 Ba 0.0 2_554 2_554 ?
W2 O5 K 120.9(3) 5_564 5_563 ?
W2 O5 Ba 120.9(3) 5_564 5_563 ?
K O5 Ba 0.0 5_563 5_563 ?
W2 O5 K 145.2(3) 5_564 2_553 ?
K O5 K 93.82(18) 5_563 2_553 ?
Ba O5 K 93.82(18) 5_563 2_553 ?
W2 O5 Ba 145.2(3) 5_564 2_553 ?
K O5 Ba 93.8 5_563 2_553 ?
Ba O5 Ba 93.82(18) 5_563 2_553 ?
K O5 Ba 0.0 2_553 2_553 ?
W1 O6 Ba 135.5(3) . . ?
W1 O6 K 120.2(3) . 7_564 ?
Ba O6 K 98.7 . 7_564 ?
W1 O6 Ba 120.2(3) . 7_564 ?
Ba O6 Ba 98.65(19) . 7_564 ?
K O6 Ba 0.0 7_564 7_564 ?
 
_refine_diff_density_max    4.170
_refine_diff_density_min   -3.780
_refine_diff_density_rms    0.656

_shelxl_version_number 2014/6



