data_PbCd2B6O12 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          B6Cd2O12Pb  
_chemical_formula_sum 
 'B6 Cd2 O12 Pb' 
_chemical_formula_weight          688.85 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'B'  'B'   0.0013   0.0007 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cd'  'Cd'  -0.8075   1.2024 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Pb'  'Pb'  -3.3944  10.1111 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 

 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 
_cell_length_a                    6.5570(3) 
_cell_length_b                    6.9924(4) 
_cell_length_c                    19.2094(10) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.285(4) 
_cell_angle_gamma                 90.00 
_cell_volume                      880.72(8) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293.21(10) 
_cell_measurement_reflns_used     3509 
_cell_measurement_theta_min       2.9072 
_cell_measurement_theta_max       26.3142 
 
_exptl_crystal_description        brick 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.12 
_exptl_crystal_size_mid           0.10 
_exptl_crystal_size_min           0.08  
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     5.195 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1216 
_exptl_absorpt_coefficient_mu     23.930 
_exptl_absorpt_correction_type    'Multi-scan' 
_exptl_absorpt_correction_T_min   0.403 
_exptl_absorpt_correction_T_max   1.0 
_exptl_absorpt_process_details    
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
; 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293.21(10) 
_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   'Agilent Technologies SuperNova Dual Wavelength CCD'
_diffrn_measurement_method        'narrow frame method' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         <1.0% 
_diffrn_reflns_number             5702 
_diffrn_reflns_av_R_equivalents   0.0517 
_diffrn_reflns_av_sigmaI/netI     0.0496 
_diffrn_reflns_limit_h_min        -8 
_diffrn_reflns_limit_h_max        8 
_diffrn_reflns_limit_k_min        -8 
_diffrn_reflns_limit_k_max        8 
_diffrn_reflns_limit_l_min        -24 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          3.10 
_diffrn_reflns_theta_max          26.37 
_reflns_number_total              1800 
_reflns_number_gt                 1623 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31)
; 
_computing_cell_refinement 
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31)
;   
_computing_data_reduction         
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31)
;  
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
 
_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. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0152P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    none 
_refine_ls_hydrogen_treatment     none 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00074(7) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          1800 
_refine_ls_number_parameters      191 
_refine_ls_number_restraints      6 
_refine_ls_R_factor_all           0.0301 
_refine_ls_R_factor_gt            0.0258 
_refine_ls_wR_factor_ref          0.0504 
_refine_ls_wR_factor_gt           0.0483 
_refine_ls_goodness_of_fit_ref    1.006 
_refine_ls_restrained_S_all       1.005 
_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 
Pb1 Pb -0.11677(4) 0.42492(4) 0.111031(12) 0.01179(11) Uani 1 1 d . . . 
Cd1 Cd 0.57360(8) -0.23211(8) 0.02585(2) 0.01068(14) Uani 1 1 d . . . 
Cd2 Cd 0.28274(8) -0.25286(7) 0.23593(2) 0.00996(14) Uani 1 1 d . . . 
B1 B 0.3884(12) 0.4359(12) 0.1259(4) 0.0097(17) Uani 1 1 d . . . 
B2 B 0.1513(12) -0.1920(12) 0.0347(3) 0.0086(16) Uani 1 1 d U . . 
B3 B -0.0937(13) -0.0668(12) 0.1226(4) 0.0105(18) Uani 1 1 d . . . 
B4 B 0.2469(12) 0.0966(12) 0.1084(3) 0.0077(16) Uani 1 1 d . . . 
B5 B 0.5809(13) 0.0295(12) 0.1771(3) 0.0100(17) Uani 1 1 d . . . 
B6 B -0.1920(12) -0.1927(12) 0.2413(4) 0.0084(16) Uani 1 1 d . . . 
O1 O 0.0341(7) 0.1023(7) 0.1241(2) 0.0095(10) Uani 1 1 d . . . 
O2 O -0.3091(7) -0.0289(7) 0.11541(19) 0.0072(10) Uani 1 1 d . . . 
O3 O 0.3594(7) 0.0285(7) 0.1706(2) 0.0084(10) Uani 1 1 d . . . 
O4 O 0.6195(7) -0.1043(7) 0.2355(2) 0.0116(11) Uani 1 1 d . . . 
O5 O -0.1579(7) -0.2791(7) 0.3040(2) 0.0110(11) Uani 1 1 d . . . 
O6 O 0.5432(8) 0.5540(7) 0.1072(2) 0.0139(11) Uani 1 1 d . . . 
O7 O -0.0394(8) -0.1951(7) 0.0640(2) 0.0125(11) Uani 1 1 d . . . 
O8 O 0.3304(7) 0.2813(7) 0.0843(2) 0.0111(11) Uani 1 1 d . . . 
O9 O 0.2827(7) -0.0401(7) 0.0496(2) 0.0096(10) Uani 1 1 d . . . 
O10 O -0.0530(7) -0.1826(7) 0.1893(2) 0.0106(10) Uani 1 1 d . . . 
O11 O 0.2278(7) -0.3334(7) -0.0039(2) 0.0141(11) Uani 1 1 d . . . 
O12 O 0.2783(8) 0.4702(7) 0.1854(2) 0.0140(11) 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 
Pb1 O11 2.272(4) 3 ? 
Pb1 O6 2.406(5) 1_455 ? 
Pb1 O1 2.476(5) . ? 
Pb1 O5 2.627(5) 2_455 ? 
Pb1 O7 2.853(5) 1_565 ? 
Pb1 O4 2.955(4) 2 ? 
Pb1 O12 2.969(5) . ? 
Pb1 Cd1 3.5380(6) 1_465 ? 
Cd1 O6 2.172(5) 1_545 ? 
Cd1 O8 2.236(4) 3_655 ? 
Cd1 O2 2.358(4) 1_655 ? 
Cd1 O9 2.379(5) . ? 
Cd1 O11 2.440(5) . ? 
Cd1 O9 2.574(5) 3_655 ? 
Cd1 O7 2.650(5) 1_655 ? 
Cd1 B2 2.789(8) . ? 
Cd1 Pb1 3.5380(6) 1_645 ? 
Cd2 O12 2.166(5) 1_545 ? 
Cd2 O12 2.210(5) 2_545 ? 
Cd2 O3 2.389(4) . ? 
Cd2 O10 2.423(5) . ? 
Cd2 O4 2.440(5) . ? 
Cd2 O3 2.540(5) 2_545 ? 
B1 O6 1.359(10) . ? 
B1 O12 1.375(9) . ? 
B1 O8 1.396(9) . ? 
B2 O11 1.334(9) . ? 
B2 O7 1.374(9) . ? 
B2 O9 1.396(9) . ? 
B3 O2 1.443(9) . ? 
B3 O1 1.449(9) . ? 
B3 O7 1.484(9) . ? 
B3 O10 1.538(8) . ? 
B4 O1 1.430(9) . ? 
B4 O3 1.479(8) . ? 
B4 O8 1.478(9) . ? 
B4 O9 1.499(9) . ? 
B5 O2 1.449(8) 1_655 ? 
B5 O3 1.457(9) . ? 
B5 O5 1.475(9) 2 ? 
B5 O4 1.482(9) . ? 
B6 O10 1.357(9) . ? 
B6 O5 1.366(8) . ? 
B6 O4 1.386(9) 1_455 ? 
O2 B5 1.449(8) 1_455 ? 
O2 Cd1 2.358(4) 1_455 ? 
O3 Cd2 2.540(4) 2 ? 
O4 B6 1.386(9) 1_655 ? 
O5 B5 1.475(9) 2_545 ? 
O5 Pb1 2.627(5) 2_445 ? 
O6 Cd1 2.172(5) 1_565 ? 
O6 Pb1 2.406(5) 1_655 ? 
O8 Cd1 2.236(4) 3_655 ? 
O9 Cd1 2.574(5) 3_655 ? 
O11 Pb1 2.272(4) 3 ? 
O12 Cd2 2.166(5) 1_565 ? 
O12 Cd2 2.210(5) 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 
O11 Pb1 O6 77.59(16) 3 1_455 ? 
O11 Pb1 O1 87.78(16) 3 . ? 
O6 Pb1 O1 135.63(16) 1_455 . ? 
O11 Pb1 O5 103.36(16) 3 2_455 ? 
O6 Pb1 O5 72.49(15) 1_455 2_455 ? 
O1 Pb1 O5 70.60(15) . 2_455 ? 
O11 Pb1 O7 91.83(15) 3 1_565 ? 
O6 Pb1 O7 78.87(15) 1_455 1_565 ? 
O1 Pb1 O7 144.02(15) . 1_565 ? 
O5 Pb1 O7 143.50(14) 2_455 1_565 ? 
O11 Pb1 O4 151.74(15) 3 2 ? 
O6 Pb1 O4 92.67(14) 1_455 2 ? 
O1 Pb1 O4 80.80(14) . 2 ? 
O5 Pb1 O4 48.45(13) 2_455 2 ? 
O7 Pb1 O4 112.49(13) 1_565 2 ? 
O11 Pb1 O12 137.80(15) 3 . ? 
O6 Pb1 O12 141.35(14) 1_455 . ? 
O1 Pb1 O12 72.61(14) . . ? 
O5 Pb1 O12 104.55(13) 2_455 . ? 
O7 Pb1 O12 84.08(13) 1_565 . ? 
O4 Pb1 O12 62.42(13) 2 . ? 
O11 Pb1 Cd1 65.88(13) 3 1_465 ? 
O6 Pb1 Cd1 37.05(11) 1_455 1_465 ? 
O1 Pb1 Cd1 153.22(9) . 1_465 ? 
O5 Pb1 Cd1 109.39(10) 2_455 1_465 ? 
O7 Pb1 Cd1 47.52(10) 1_565 1_465 ? 
O4 Pb1 Cd1 120.13(10) 2 1_465 ? 
O12 Pb1 Cd1 130.35(10) . 1_465 ? 
O6 Cd1 O8 126.97(17) 1_545 3_655 ? 
O6 Cd1 O2 85.47(16) 1_545 1_655 ? 
O8 Cd1 O2 133.67(16) 3_655 1_655 ? 
O6 Cd1 O9 100.04(17) 1_545 . ? 
O8 Cd1 O9 119.86(16) 3_655 . ? 
O2 Cd1 O9 77.23(15) 1_655 . ? 
O6 Cd1 O11 83.11(17) 1_545 . ? 
O8 Cd1 O11 89.98(16) 3_655 . ? 
O2 Cd1 O11 130.17(15) 1_655 . ? 
O9 Cd1 O11 57.56(16) . . ? 
O6 Cd1 O9 161.63(16) 1_545 3_655 ? 
O8 Cd1 O9 58.37(15) 3_655 3_655 ? 
O2 Cd1 O9 81.15(14) 1_655 3_655 ? 
O9 Cd1 O9 89.25(15) . 3_655 ? 
O11 Cd1 O9 115.17(15) . 3_655 ? 
O6 Cd1 O7 87.69(16) 1_545 1_655 ? 
O8 Cd1 O7 90.15(16) 3_655 1_655 ? 
O2 Cd1 O7 55.32(15) 1_655 1_655 ? 
O9 Cd1 O7 131.27(15) . 1_655 ? 
O11 Cd1 O7 168.57(16) . 1_655 ? 
O9 Cd1 O7 74.37(14) 3_655 1_655 ? 
O6 Cd1 B2 86.0(2) 1_545 . ? 
O8 Cd1 B2 110.92(19) 3_655 . ? 
O2 Cd1 B2 102.44(19) 1_655 . ? 
O9 Cd1 B2 30.0(2) . . ? 
O11 Cd1 B2 28.58(19) . . ? 
O9 Cd1 B2 109.04(19) 3_655 . ? 
O7 Cd1 B2 157.35(18) 1_655 . ? 
O6 Cd1 Pb1 41.86(13) 1_545 1_645 ? 
O8 Cd1 Pb1 99.76(13) 3_655 1_645 ? 
O2 Cd1 Pb1 83.49(11) 1_655 1_645 ? 
O9 Cd1 Pb1 138.84(10) . 1_645 ? 
O11 Cd1 Pb1 116.22(12) . 1_645 ? 
O9 Cd1 Pb1 123.42(10) 3_655 1_645 ? 
O7 Cd1 Pb1 52.55(10) 1_655 1_645 ? 
B2 Cd1 Pb1 127.42(16) . 1_645 ? 
O12 Cd2 O12 159.29(14) 1_545 2_545 ? 
O12 Cd2 O3 120.19(16) 1_545 . ? 
O12 Cd2 O3 79.49(16) 2_545 . ? 
O12 Cd2 O10 90.30(17) 1_545 . ? 
O12 Cd2 O10 86.71(17) 2_545 . ? 
O3 Cd2 O10 80.32(15) . . ? 
O12 Cd2 O4 112.90(17) 1_545 . ? 
O12 Cd2 O4 82.46(17) 2_545 . ? 
O3 Cd2 O4 56.97(15) . . ? 
O10 Cd2 O4 137.14(15) . . ? 
O12 Cd2 O3 76.98(16) 1_545 2_545 ? 
O12 Cd2 O3 82.70(16) 2_545 2_545 ? 
O3 Cd2 O3 161.19(15) . 2_545 ? 
O10 Cd2 O3 92.73(15) . 2_545 ? 
O4 Cd2 O3 126.43(13) . 2_545 ? 
O6 B1 O12 120.6(6) . . ? 
O6 B1 O8 121.3(6) . . ? 
O12 B1 O8 118.0(7) . . ? 
O11 B2 O7 124.1(7) . . ? 
O11 B2 O9 116.4(6) . . ? 
O7 B2 O9 119.3(6) . . ? 
O11 B2 Cd1 61.0(4) . . ? 
O7 B2 Cd1 158.3(5) . . ? 
O9 B2 Cd1 58.5(3) . . ? 
O2 B3 O1 114.7(6) . . ? 
O2 B3 O7 106.1(5) . . ? 
O1 B3 O7 111.6(6) . . ? 
O2 B3 O10 110.0(6) . . ? 
O1 B3 O10 108.3(5) . . ? 
O7 B3 O10 105.8(6) . . ? 
O1 B4 O3 108.8(5) . . ? 
O1 B4 O8 113.9(6) . . ? 
O3 B4 O8 110.5(5) . . ? 
O1 B4 O9 109.5(5) . . ? 
O3 B4 O9 108.9(6) . . ? 
O8 B4 O9 105.1(5) . . ? 
O2 B5 O3 115.3(5) 1_655 . ? 
O2 B5 O5 106.6(6) 1_655 2 ? 
O3 B5 O5 111.5(6) . 2 ? 
O2 B5 O4 110.9(6) 1_655 . ? 
O3 B5 O4 103.2(6) . . ? 
O5 B5 O4 109.3(5) 2 . ? 
O10 B6 O5 124.4(7) . . ? 
O10 B6 O4 121.3(6) . 1_455 ? 
O5 B6 O4 114.2(6) . 1_455 ? 
B4 O1 B3 122.6(6) . . ? 
B4 O1 Pb1 113.2(4) . . ? 
B3 O1 Pb1 120.7(4) . . ? 
B3 O2 B5 117.7(5) . 1_455 ? 
B3 O2 Cd1 105.9(4) . 1_455 ? 
B5 O2 Cd1 127.2(4) 1_455 1_455 ? 
B5 O3 B4 124.1(5) . . ? 
B5 O3 Cd2 99.9(4) . . ? 
B4 O3 Cd2 125.7(4) . . ? 
B5 O3 Cd2 107.8(4) . 2 ? 
B4 O3 Cd2 101.2(4) . 2 ? 
Cd2 O3 Cd2 92.58(14) . 2 ? 
B6 O4 B5 119.4(6) 1_655 . ? 
B6 O4 Cd2 128.1(5) 1_655 . ? 
B5 O4 Cd2 96.9(4) . . ? 
B6 O5 B5 132.3(5) . 2_545 ? 
B6 O5 Pb1 102.6(4) . 2_445 ? 
B5 O5 Pb1 122.2(4) 2_545 2_445 ? 
B1 O6 Cd1 132.9(4) . 1_565 ? 
B1 O6 Pb1 117.2(4) . 1_655 ? 
Cd1 O6 Pb1 101.09(19) 1_565 1_655 ? 
B2 O7 B3 121.5(6) . . ? 
B1 O8 B4 126.6(5) . . ? 
B1 O8 Cd1 125.7(4) . 3_655 ? 
B4 O8 Cd1 105.6(4) . 3_655 ? 
B2 O9 B4 122.8(5) . . ? 
B2 O9 Cd1 91.5(4) . . ? 
B4 O9 Cd1 129.3(4) . . ? 
B2 O9 Cd1 132.4(4) . 3_655 ? 
B4 O9 Cd1 90.7(4) . 3_655 ? 
Cd1 O9 Cd1 90.75(15) . 3_655 ? 
B6 O10 B3 121.7(6) . . ? 
B6 O10 Cd2 109.2(4) . . ? 
B3 O10 Cd2 124.6(4) . . ? 
B2 O11 Pb1 126.3(4) . 3 ? 
B2 O11 Cd1 90.4(4) . . ? 
Pb1 O11 Cd1 125.9(2) 3 . ? 
B1 O12 Cd2 121.5(5) . 1_565 ? 
B1 O12 Cd2 122.8(5) . 2 ? 
Cd2 O12 Cd2 109.05(18) 1_565 2 ? 
B1 O12 Pb1 92.4(4) . . ? 
Cd2 O12 Pb1 108.71(18) 1_565 . ? 
Cd2 O12 Pb1 95.34(17) 2 . ? 
 
_diffrn_measured_fraction_theta_max    0.998 
_diffrn_reflns_theta_full              26.37 
_diffrn_measured_fraction_theta_full   0.998 
_refine_diff_density_max    1.233 
_refine_diff_density_min   -1.523 
_refine_diff_density_rms    0.278 


#===end 



data_EuZnB5O10  
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          B5EuO10Zn 
_chemical_formula_sum 
 'B5 Eu O10 Zn' 
_chemical_formula_weight          431.38 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'B'  'B'   0.0013   0.0007 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Zn'  'Zn'   0.2839   1.4301 
 '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' 
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    'P2(1)/n' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 
_cell_length_a                    8.6173(5) 
_cell_length_b                    7.5994(4) 
_cell_length_c                    9.4036(5) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  93.358(5) 
_cell_angle_gamma                 90.00 
_cell_volume                      614.75(6) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     2807 
_cell_measurement_theta_min       2.3628 
_cell_measurement_theta_max       26.3152 
 
_exptl_crystal_description        column 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.08 
_exptl_crystal_size_mid           0.06 
_exptl_crystal_size_min           0.04 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     4.661 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              792 
_exptl_absorpt_coefficient_mu     14.066 
_exptl_absorpt_correction_type    'multi-scan' 
_exptl_absorpt_correction_T_min   0.69338 
_exptl_absorpt_correction_T_max   1.00000 
_exptl_absorpt_process_details     
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;  
 
_exptl_special_details 
; 
 ? 
;  
 
_diffrn_ambient_temperature       293.00(10) 
_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   'SuperNova, Dual, Cu at zero, Atlas' 
_diffrn_measurement_method        'ω scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             4460 
_diffrn_reflns_av_R_equivalents   0.0378 
_diffrn_reflns_av_sigmaI/netI     0.0354 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -9 
_diffrn_reflns_limit_k_max        7 
_diffrn_reflns_limit_l_min        -11 
_diffrn_reflns_limit_l_max        9 
_diffrn_reflns_theta_min          3.12 
_diffrn_reflns_theta_max          26.37 
_reflns_number_total              1256 
_reflns_number_gt                 1127 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31)
; 
_computing_cell_refinement 
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31)
;   
_computing_data_reduction         
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31)
;  
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
 
_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. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0225P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    none 
_refine_ls_hydrogen_treatment     none 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.0005(2) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          1256 
_refine_ls_number_parameters      155 
_refine_ls_number_restraints      36 
_refine_ls_R_factor_all           0.0268 
_refine_ls_R_factor_gt            0.0221 
_refine_ls_wR_factor_ref          0.0511 
_refine_ls_wR_factor_gt           0.0487 
_refine_ls_goodness_of_fit_ref    1.072 
_refine_ls_restrained_S_all       1.060 
_refine_ls_shift/su_max           0.002 
_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 
Eu1 Eu 1.18384(3) 0.18243(4) -0.76261(3) 0.00628(12) Uani 1 1 d . . . 
Zn1 Zn 1.10767(6) 0.08972(8) -0.37485(6) 0.00786(16) Uani 1 1 d . . . 
B1 B 1.4823(6) 0.3232(8) -0.6075(6) 0.0042(11) Uani 1 1 d U . . 
B2 B 1.6557(6) 0.0995(8) -0.4971(6) 0.0086(12) Uani 1 1 d U . . 
B3 B 1.5847(6) 0.0758(8) -0.7605(6) 0.0067(12) Uani 1 1 d . . . 
B4 B 1.5682(6) -0.1867(8) -0.9127(6) 0.0056(12) Uani 1 1 d U . . 
B5 B 1.7795(6) 0.0313(8) -0.9444(6) 0.0057(12) Uani 1 1 d . . . 
O1 O 1.3253(4) 0.3939(5) -0.5832(3) 0.0062(7) Uani 1 1 d U . . 
O2 O 1.5841(3) 0.4721(5) -0.6484(4) 0.0068(7) Uani 1 1 d . . . 
O3 O 1.5426(4) 0.2273(5) -0.4818(4) 0.0066(7) Uani 1 1 d . . . 
O4 O 1.7379(3) 0.0498(5) -0.3792(4) 0.0063(7) Uani 1 1 d . . . 
O5 O 1.6828(4) 0.0339(5) -0.6289(4) 0.0077(8) Uani 1 1 d . . . 
O6 O 1.4650(4) 0.2089(5) -0.7310(4) 0.0048(7) Uani 1 1 d . . . 
O7 O 1.5110(4) -0.0884(5) -0.8057(4) 0.0068(8) Uani 1 1 d . . . 
O8 O 1.4972(4) -0.3489(5) -0.9294(4) 0.0062(7) Uani 1 1 d U . . 
O9 O 1.6852(4) -0.1262(5) -0.9909(4) 0.0072(8) Uani 1 1 d . . . 
O10 O 1.6830(4) 0.1497(5) -0.8652(4) 0.0059(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 
Eu1 O4 2.289(3) 3_854 ? 
Eu1 O4 2.371(4) 4_565 ? 
Eu1 O3 2.430(3) 4_565 ? 
Eu1 O6 2.432(3) . ? 
Eu1 O8 2.466(3) 2_753 ? 
Eu1 O7 2.528(3) 2_753 ? 
Eu1 O1 2.583(3) . ? 
Eu1 O1 2.627(4) 2_743 ? 
Eu1 O9 2.671(3) 3_853 ? 
Eu1 B2 2.758(6) 4_565 ? 
Eu1 O2 2.892(3) 2_743 ? 
Eu1 B4 2.974(6) 2_753 ? 
Zn1 O5 2.034(3) 3_854 ? 
Zn1 O8 2.056(3) 2_753 ? 
Zn1 O10 2.085(4) 4_566 ? 
Zn1 O8 2.112(4) 4_556 ? 
Zn1 O2 2.202(3) 4_566 ? 
Zn1 O6 2.424(3) 4_566 ? 
Zn1 Eu1 3.5551(7) 3_754 ? 
B1 O6 1.451(6) . ? 
B1 O3 1.459(6) . ? 
B1 O1 1.486(6) . ? 
B1 O2 1.496(6) . ? 
B1 Eu1 3.285(6) 2_753 ? 
B2 O4 1.335(7) . ? 
B2 O5 1.368(7) . ? 
B2 O3 1.390(7) . ? 
B2 Eu1 2.758(6) 4_666 ? 
B3 O10 1.450(7) . ? 
B3 O7 1.452(7) . ? 
B3 O6 1.482(7) . ? 
B3 O5 1.492(6) . ? 
B4 O9 1.362(7) . ? 
B4 O7 1.368(7) . ? 
B4 O8 1.381(7) . ? 
B4 Eu1 2.974(6) 2_743 ? 
B5 O10 1.458(7) . ? 
B5 O2 1.491(6) 2_843 ? 
B5 O1 1.498(6) 4_665 ? 
B5 O9 1.498(7) . ? 
B5 Eu1 3.230(6) 3_853 ? 
O1 B5 1.498(6) 4_566 ? 
O1 Eu1 2.627(4) 2_753 ? 
O2 B5 1.491(6) 2_853 ? 
O2 Zn1 2.202(3) 4_665 ? 
O2 Eu1 2.892(3) 2_753 ? 
O3 Eu1 2.430(3) 4_666 ? 
O4 Eu1 2.289(3) 3_854 ? 
O4 Eu1 2.371(4) 4_666 ? 
O5 Zn1 2.034(3) 3_854 ? 
O6 Zn1 2.424(4) 4_665 ? 
O7 Eu1 2.528(3) 2_743 ? 
O8 Zn1 2.056(3) 2_743 ? 
O8 Zn1 2.112(4) 4_655 ? 
O8 Eu1 2.466(3) 2_743 ? 
O9 Eu1 2.671(3) 3_853 ? 
O10 Zn1 2.085(4) 4_665 ? 
 
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 Eu1 O4 150.67(4) 3_854 4_565 ? 
O4 Eu1 O3 145.82(12) 3_854 4_565 ? 
O4 Eu1 O3 57.86(11) 4_565 4_565 ? 
O4 Eu1 O6 74.65(11) 3_854 . ? 
O4 Eu1 O6 76.35(11) 4_565 . ? 
O3 Eu1 O6 121.75(11) 4_565 . ? 
O4 Eu1 O8 71.14(11) 3_854 2_753 ? 
O4 Eu1 O8 124.83(12) 4_565 2_753 ? 
O3 Eu1 O8 109.95(11) 4_565 2_753 ? 
O6 Eu1 O8 125.95(11) . 2_753 ? 
O4 Eu1 O7 124.08(11) 3_854 2_753 ? 
O4 Eu1 O7 71.19(11) 4_565 2_753 ? 
O3 Eu1 O7 73.38(11) 4_565 2_753 ? 
O6 Eu1 O7 125.71(11) . 2_753 ? 
O8 Eu1 O7 54.71(11) 2_753 2_753 ? 
O4 Eu1 O1 89.30(12) 3_854 . ? 
O4 Eu1 O1 70.71(11) 4_565 . ? 
O3 Eu1 O1 124.88(11) 4_565 . ? 
O6 Eu1 O1 55.96(11) . . ? 
O8 Eu1 O1 82.90(11) 2_753 . ? 
O7 Eu1 O1 72.57(10) 2_753 . ? 
O4 Eu1 O1 71.11(11) 3_854 2_743 ? 
O4 Eu1 O1 117.50(11) 4_565 2_743 ? 
O3 Eu1 O1 76.72(11) 4_565 2_743 ? 
O6 Eu1 O1 97.69(10) . 2_743 ? 
O8 Eu1 O1 108.89(11) 2_753 2_743 ? 
O7 Eu1 O1 135.75(10) 2_753 2_743 ? 
O1 Eu1 O1 151.32(7) . 2_743 ? 
O4 Eu1 O9 104.90(11) 3_854 3_853 ? 
O4 Eu1 O9 68.39(12) 4_565 3_853 ? 
O3 Eu1 O9 61.66(11) 4_565 3_853 ? 
O6 Eu1 O9 69.55(10) . 3_853 ? 
O8 Eu1 O9 159.64(11) 2_753 3_853 ? 
O7 Eu1 O9 130.64(11) 2_753 3_853 ? 
O1 Eu1 O9 117.32(10) . 3_853 ? 
O1 Eu1 O9 52.28(10) 2_743 3_853 ? 
O4 Eu1 B2 159.73(15) 3_854 4_565 ? 
O4 Eu1 B2 28.94(15) 4_565 4_565 ? 
O3 Eu1 B2 30.24(14) 4_565 4_565 ? 
O6 Eu1 B2 95.07(14) . 4_565 ? 
O8 Eu1 B2 127.85(14) 2_753 4_565 ? 
O7 Eu1 B2 76.14(14) 2_753 4_565 ? 
O1 Eu1 B2 99.45(15) . 4_565 ? 
O1 Eu1 B2 93.56(15) 2_743 4_565 ? 
O9 Eu1 B2 54.84(15) 3_853 4_565 ? 
O4 Eu1 O2 86.87(11) 3_854 2_743 ? 
O4 Eu1 O2 121.07(10) 4_565 2_743 ? 
O3 Eu1 O2 63.81(11) 4_565 2_743 ? 
O6 Eu1 O2 148.65(11) . 2_743 ? 
O8 Eu1 O2 68.28(10) 2_753 2_743 ? 
O7 Eu1 O2 85.61(10) 2_753 2_743 ? 
O1 Eu1 O2 150.60(10) . 2_743 ? 
O1 Eu1 O2 51.78(10) 2_743 2_743 ? 
O9 Eu1 O2 91.79(10) 3_853 2_743 ? 
B2 Eu1 O2 93.98(14) 4_565 2_743 ? 
O4 Eu1 B4 97.74(14) 3_854 2_753 ? 
O4 Eu1 B4 97.98(14) 4_565 2_753 ? 
O3 Eu1 B4 91.71(13) 4_565 2_753 ? 
O6 Eu1 B4 131.25(13) . 2_753 ? 
O8 Eu1 B4 27.43(14) 2_753 2_753 ? 
O7 Eu1 B4 27.28(14) 2_753 2_753 ? 
O1 Eu1 B4 76.22(13) . 2_753 ? 
O1 Eu1 B4 125.87(13) 2_743 2_753 ? 
O9 Eu1 B4 153.37(13) 3_853 2_753 ? 
B2 Eu1 B4 102.08(17) 4_565 2_753 ? 
O2 Eu1 B4 75.45(13) 2_743 2_753 ? 
O5 Zn1 O8 117.60(14) 3_854 2_753 ? 
O5 Zn1 O10 99.43(14) 3_854 4_566 ? 
O8 Zn1 O10 86.71(14) 2_753 4_566 ? 
O5 Zn1 O8 89.49(13) 3_854 4_556 ? 
O8 Zn1 O8 79.12(15) 2_753 4_556 ? 
O10 Zn1 O8 165.61(13) 4_566 4_556 ? 
O5 Zn1 O2 90.98(13) 3_854 4_566 ? 
O8 Zn1 O2 148.62(12) 2_753 4_566 ? 
O10 Zn1 O2 101.93(14) 4_566 4_566 ? 
O8 Zn1 O2 89.10(13) 4_556 4_566 ? 
O5 Zn1 O6 139.52(12) 3_854 4_566 ? 
O8 Zn1 O6 98.37(13) 2_753 4_566 ? 
O10 Zn1 O6 62.80(12) 4_566 4_566 ? 
O8 Zn1 O6 116.51(12) 4_556 4_566 ? 
O2 Zn1 O6 61.08(12) 4_566 4_566 ? 
O5 Zn1 Eu1 111.76(11) 3_854 3_754 ? 
O8 Zn1 Eu1 100.07(9) 2_753 3_754 ? 
O10 Zn1 Eu1 139.63(10) 4_566 3_754 ? 
O8 Zn1 Eu1 42.79(9) 4_556 3_754 ? 
O2 Zn1 Eu1 54.35(9) 4_566 3_754 ? 
O6 Zn1 Eu1 76.84(8) 4_566 3_754 ? 
O5 Zn1 Eu1 84.22(10) 3_854 . ? 
O8 Zn1 Eu1 36.11(9) 2_753 . ? 
O10 Zn1 Eu1 78.18(10) 4_566 . ? 
O8 Zn1 Eu1 91.63(10) 4_556 . ? 
O2 Zn1 Eu1 175.13(8) 4_566 . ? 
O6 Zn1 Eu1 122.60(8) 4_566 . ? 
Eu1 Zn1 Eu1 128.377(16) 3_754 . ? 
O6 B1 O3 111.4(4) . . ? 
O6 B1 O1 106.8(4) . . ? 
O3 B1 O1 109.9(4) . . ? 
O6 B1 O2 106.3(4) . . ? 
O3 B1 O2 113.5(4) . . ? 
O1 B1 O2 108.6(4) . . ? 
O6 B1 Eu1 50.8(2) . . ? 
O3 B1 Eu1 117.3(3) . . ? 
O1 B1 Eu1 57.0(2) . . ? 
O2 B1 Eu1 129.0(3) . . ? 
O6 B1 Eu1 100.3(3) . 2_753 ? 
O3 B1 Eu1 147.5(3) . 2_753 ? 
O1 B1 Eu1 51.4(2) . 2_753 ? 
O2 B1 Eu1 61.7(2) . 2_753 ? 
Eu1 B1 Eu1 77.21(12) . 2_753 ? 
O4 B2 O5 122.6(5) . . ? 
O4 B2 O3 116.9(5) . . ? 
O5 B2 O3 120.5(5) . . ? 
O4 B2 Eu1 59.2(3) . 4_666 ? 
O5 B2 Eu1 158.6(4) . 4_666 ? 
O3 B2 Eu1 61.7(3) . 4_666 ? 
O10 B3 O7 113.4(4) . . ? 
O10 B3 O6 107.7(4) . . ? 
O7 B3 O6 110.1(4) . . ? 
O10 B3 O5 108.7(4) . . ? 
O7 B3 O5 106.0(4) . . ? 
O6 B3 O5 110.9(4) . . ? 
O9 B4 O7 121.5(5) . . ? 
O9 B4 O8 125.2(5) . . ? 
O7 B4 O8 113.2(5) . . ? 
O9 B4 Eu1 179.0(4) . 2_743 ? 
O7 B4 Eu1 57.9(3) . 2_743 ? 
O8 B4 Eu1 55.3(2) . 2_743 ? 
O10 B5 O2 110.0(4) . 2_843 ? 
O10 B5 O1 113.5(4) . 4_665 ? 
O2 B5 O1 112.7(4) 2_843 4_665 ? 
O10 B5 O9 109.0(4) . . ? 
O2 B5 O9 109.0(4) 2_843 . ? 
O1 B5 O9 102.4(4) 4_665 . ? 
O10 B5 Eu1 146.4(3) . 3_853 ? 
O2 B5 Eu1 103.5(3) 2_843 3_853 ? 
O1 B5 Eu1 53.3(2) 4_665 3_853 ? 
O9 B5 Eu1 55.1(2) . 3_853 ? 
B1 O1 B5 124.0(4) . 4_566 ? 
B1 O1 Eu1 94.2(3) . . ? 
B5 O1 Eu1 131.8(3) 4_566 . ? 
B1 O1 Eu1 102.4(3) . 2_753 ? 
B5 O1 Eu1 99.4(3) 4_566 2_753 ? 
Eu1 O1 Eu1 99.28(11) . 2_753 ? 
B5 O2 B1 122.2(4) 2_853 . ? 
B5 O2 Zn1 121.0(3) 2_853 4_665 ? 
B1 O2 Zn1 100.1(3) . 4_665 ? 
B5 O2 Eu1 126.2(3) 2_853 2_753 ? 
B1 O2 Eu1 91.3(2) . 2_753 ? 
Zn1 O2 Eu1 87.43(11) 4_665 2_753 ? 
B2 O3 B1 118.9(4) . . ? 
B2 O3 Eu1 88.0(3) . 4_666 ? 
B1 O3 Eu1 133.1(3) . 4_666 ? 
B2 O4 Eu1 145.7(4) . 3_854 ? 
B2 O4 Eu1 91.8(3) . 4_666 ? 
Eu1 O4 Eu1 116.85(14) 3_854 4_666 ? 
B2 O5 B3 123.7(4) . . ? 
B2 O5 Zn1 110.6(3) . 3_854 ? 
B3 O5 Zn1 124.9(3) . 3_854 ? 
B1 O6 B3 121.2(4) . . ? 
B1 O6 Zn1 92.1(3) . 4_665 ? 
B3 O6 Zn1 86.9(3) . 4_665 ? 
B1 O6 Eu1 101.6(3) . . ? 
B3 O6 Eu1 128.3(3) . . ? 
Zn1 O6 Eu1 121.21(14) 4_665 . ? 
B4 O7 B3 121.0(4) . . ? 
B4 O7 Eu1 94.8(3) . 2_743 ? 
B3 O7 Eu1 143.4(3) . 2_743 ? 
B4 O8 Zn1 118.2(3) . 2_743 ? 
B4 O8 Zn1 123.7(3) . 4_655 ? 
Zn1 O8 Zn1 100.88(15) 2_743 4_655 ? 
B4 O8 Eu1 97.2(3) . 2_743 ? 
Zn1 O8 Eu1 114.44(13) 2_743 2_743 ? 
Zn1 O8 Eu1 101.61(14) 4_655 2_743 ? 
B4 O9 B5 121.2(4) . . ? 
B4 O9 Eu1 141.1(3) . 3_853 ? 
B5 O9 Eu1 97.6(3) . 3_853 ? 
B3 O10 B5 118.8(4) . . ? 
B3 O10 Zn1 101.8(3) . 4_665 ? 
B5 O10 Zn1 138.5(3) . 4_665 ? 
 
_diffrn_measured_fraction_theta_max    0.9926 
_diffrn_reflns_theta_full              26.3154 
_diffrn_measured_fraction_theta_full   0.9993 
_refine_diff_density_max    0.852
_refine_diff_density_min   -0.846 
_refine_diff_density_rms    0.200 