#------------------------------------------------------------------------------ #$Date: 2011-09-10 06:16:28 +0300 (Sat, 10 Sep 2011) $ #$Revision: 25271 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2204094.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2204094 loop_ _publ_author_name 'Ijjaali, Ismail' 'Ibers, James A.' _publ_section_title ; An ordered polymorph of copper trisamarium hexaselenide, CuSm~3~Se~6~ ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i89 _journal_page_last i90 _journal_volume 60 _journal_year 2004 _chemical_formula_iupac 'Cu Sm3 Se6' _chemical_formula_structural 'Cu Sm3 Se4 (Se2)' _chemical_formula_sum 'Cu Se6 Sm3' _chemical_formula_weight 988.35 _chemical_name_systematic ; ; _space_group_IT_number 11 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 90.585(2) _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 7.1357(10) _cell_length_b 16.986(3) _cell_length_c 7.8957(12) _cell_measurement_reflns_used 4189 _cell_measurement_temperature 153(2) _cell_measurement_theta_max 28.99 _cell_measurement_theta_min 2.58 _cell_volume 957.0(3) _computing_cell_refinement 'SAINT (Bruker, 2003)' _computing_data_collection 'SMART (Bruker, 2003)' _computing_data_reduction SAINT _computing_molecular_graphics 'XP in SHELXTL' _computing_publication_material SHELXTL _computing_structure_refinement SHELXTL _computing_structure_solution 'SHELXTL (Sheldrick, 2003)' _diffrn_ambient_temperature 153(2) _diffrn_measured_fraction_theta_full 0.927 _diffrn_measured_fraction_theta_max 0.927 _diffrn_measurement_device_type 'Bruker 1000 CCD' _diffrn_measurement_method \w _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0480 _diffrn_reflns_av_sigmaI/netI 0.0396 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_number 11410 _diffrn_reflns_theta_full 28.99 _diffrn_reflns_theta_max 28.99 _diffrn_reflns_theta_min 2.58 _diffrn_standards_decay_% 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 43.069 _exptl_absorpt_correction_T_max 0.210 _exptl_absorpt_correction_T_min 0.0291 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details ' face indexed (SHELXTL)' _exptl_crystal_colour red _exptl_crystal_density_diffrn 6.860 _exptl_crystal_density_meas none _exptl_crystal_density_method none _exptl_crystal_description needle _exptl_crystal_F_000 1676 _exptl_crystal_size_max 0.240 _exptl_crystal_size_mid 0.046 _exptl_crystal_size_min 0.042 _refine_diff_density_max 5.306 _refine_diff_density_min -3.738 _refine_ls_extinction_coef 0.00117(8) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXTL _refine_ls_goodness_of_fit_ref 1.048 _refine_ls_matrix_type full _refine_ls_number_parameters 98 _refine_ls_number_reflns 2435 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.048 _refine_ls_R_factor_all 0.0500 _refine_ls_R_factor_gt 0.0394 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.04P)^2^+34P] where P = (Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0968 _refine_ls_wR_factor_ref 0.1033 _reflns_number_gt 1976 _reflns_number_total 2435 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file wm6023.cif _[local]_cod_data_source_block I _[local]_cod_cif_authors_sg_H-M 'P 21/m' _cod_original_cell_volume 957.0(2) _cod_database_code 2204094 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' '-x, -y, -z' 'x, -y-1/2, z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_type_symbol Sm1 0.25766(7) 0.08696(3) 0.44000(6) 0.00550(16) Uani d . 1 Sm Sm2 0.27305(7) 0.58962(3) 0.05685(7) 0.00589(16) Uani d . 1 Sm Sm3 0.23408(10) 0.2500 0.05439(9) 0.00612(18) Uani d S 1 Sm Sm4 0.76271(10) 0.2500 0.55643(9) 0.00541(18) Uani d S 1 Sm Cu 0.1045(2) 0.02915(11) 0.7935(2) 0.0256(4) Uani d . 1 Cu Se1 0.11069(14) 0.08227(5) 0.09093(13) 0.0059(2) Uani d . 1 Se Se2 0.11745(14) 0.58195(5) 0.40358(13) 0.0053(2) Uani d . 1 Se Se3 0.41961(13) 0.17705(6) 0.74452(12) 0.0059(2) Uani d . 1 Se Se4 0.57020(13) 0.00053(5) 0.25244(12) 0.0054(2) Uani d . 1 Se Se5 0.57110(13) 0.17658(6) 0.24961(12) 0.0058(2) Uani d . 1 Se Se6 0.11781(19) 0.2500 0.39813(18) 0.0062(3) Uani d S 1 Se Se7 0.87119(19) 0.2500 0.90384(18) 0.0058(3) Uani d S 1 Se loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sm1 0.0061(3) 0.0036(3) 0.0068(3) 0.00058(17) -0.0013(2) 0.00016(17) Sm2 0.0063(3) 0.0041(3) 0.0072(3) 0.00098(17) -0.00172(19) -0.00024(17) Sm3 0.0069(4) 0.0039(3) 0.0076(4) 0.000 -0.0012(3) 0.000 Sm4 0.0058(3) 0.0034(3) 0.0069(4) 0.000 -0.0019(3) 0.000 Cu 0.0152(8) 0.0418(10) 0.0198(8) 0.0095(7) 0.0011(6) 0.0081(7) Se1 0.0056(5) 0.0036(4) 0.0083(5) -0.0015(3) -0.0028(4) 0.0006(3) Se2 0.0047(5) 0.0034(5) 0.0079(5) -0.0003(3) -0.0015(4) -0.0003(3) Se3 0.0048(4) 0.0051(5) 0.0075(5) -0.0004(3) -0.0021(3) 0.0000(3) Se4 0.0032(4) 0.0046(5) 0.0083(5) 0.0002(3) -0.0021(3) -0.0001(4) Se5 0.0043(4) 0.0055(5) 0.0076(5) 0.0001(3) -0.0016(3) 0.0001(3) Se6 0.0062(6) 0.0031(6) 0.0093(7) 0.000 -0.0004(5) 0.000 Se7 0.0058(6) 0.0030(6) 0.0086(7) 0.000 -0.0026(5) 0.000 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle Se1 Sm1 Se2 . 2_546 94.30(3) Se1 Sm1 Se6 . . 78.70(3) Se2 Sm1 Se6 2_546 . 76.60(3) Se1 Sm1 Se2 . 4_565 76.86(3) Se2 Sm1 Se2 2_546 4_565 73.46(3) Se6 Sm1 Se2 . 4_565 139.39(4) Se1 Sm1 Se4 . . 77.78(3) Se2 Sm1 Se4 2_546 . 148.59(3) Se6 Sm1 Se4 . . 129.81(4) Se2 Sm1 Se4 4_565 . 75.14(3) Se1 Sm1 Se3 . . 151.24(3) Se2 Sm1 Se3 2_546 . 91.28(3) Se6 Sm1 Se3 . . 75.21(3) Se2 Sm1 Se3 4_565 . 131.59(3) Se4 Sm1 Se3 . . 110.35(3) Se1 Sm1 Se4 . 3_656 149.16(3) Se2 Sm1 Se4 2_546 3_656 90.70(3) Se6 Sm1 Se4 . 3_656 131.92(4) Se2 Sm1 Se4 4_565 3_656 75.48(3) Se4 Sm1 Se4 . 3_656 82.18(3) Se3 Sm1 Se4 . 3_656 58.69(3) Se1 Sm1 Se5 . . 79.12(3) Se2 Sm1 Se5 2_546 . 150.99(3) Se6 Sm1 Se5 . . 74.40(3) Se2 Sm1 Se5 4_565 . 130.71(3) Se4 Sm1 Se5 . . 57.98(3) Se3 Sm1 Se5 . . 82.38(3) Se4 Sm1 Se5 3_656 . 109.48(3) Se1 Sm1 Cu . . 134.06(4) Se2 Sm1 Cu 2_546 . 45.67(3) Se6 Sm1 Cu . . 105.65(4) Se2 Sm1 Cu 4_565 . 71.06(4) Se4 Sm1 Cu . . 122.50(4) Se3 Sm1 Cu . . 66.04(4) Se4 Sm1 Cu 3_656 . 45.23(3) Se5 Sm1 Cu . . 146.71(4) Se7 Sm2 Se2 3_666 . 78.93(3) Se7 Sm2 Se1 3_666 2 75.94(3) Se2 Sm2 Se1 . 2 90.48(3) Se7 Sm2 Se4 3_666 4_565 131.41(4) Se2 Sm2 Se4 . 4_565 76.93(3) Se1 Sm2 Se4 2 4_565 144.90(3) Se7 Sm2 Se5 3_666 2_655 76.43(3) Se2 Sm2 Se5 . 2_655 153.48(3) Se1 Sm2 Se5 2 2_655 92.91(3) Se4 Sm2 Se5 4_565 2_655 112.96(3) Se7 Sm2 Se3 3_666 2_656 75.27(3) Se2 Sm2 Se3 . 2_656 79.74(3) Se1 Sm2 Se3 2 2_656 150.86(3) Se4 Sm2 Se3 4_565 2_656 59.36(3) Se5 Sm2 Se3 2_655 2_656 84.65(3) Se7 Sm2 Se4 3_666 2_655 131.99(4) Se2 Sm2 Se4 . 2_655 148.09(3) Se1 Sm2 Se4 2 2_655 90.50(3) Se4 Sm2 Se4 4_565 2_655 84.16(3) Se5 Sm2 Se4 2_655 2_655 58.23(3) Se3 Sm2 Se4 2_656 2_655 112.23(3) Se7 Sm2 Cu 3_666 2_556 87.73(4) Se2 Sm2 Cu . 2_556 45.97(4) Se1 Sm2 Cu 2 2_556 48.68(4) Se4 Sm2 Cu 4_565 2_556 104.06(4) Se5 Sm2 Cu 2_655 2_556 141.30(4) Se3 Sm2 Cu 2_656 2_556 125.47(4) Se4 Sm2 Cu 2_655 2_556 117.25(4) Se7 Sm2 Cu 3_666 4_564 122.47(5) Se2 Sm2 Cu . 4_564 116.10(4) Se1 Sm2 Cu 2 4_564 50.57(4) Se4 Sm2 Cu 4_565 4_564 105.99(4) Se5 Sm2 Cu 2_655 4_564 85.75(4) Se3 Sm2 Cu 2_656 4_564 156.95(4) Se4 Sm2 Cu 2_655 4_564 45.51(3) Cu Sm2 Cu 2_556 4_564 73.30(5) Se7 Sm2 Se1 3_666 4_565 136.22(4) Se2 Sm2 Se1 . 4_565 74.90(3) Se1 Sm2 Se1 2 4_565 69.90(3) Se4 Sm2 Se1 4_565 4_565 75.17(3) Se5 Sm2 Se1 2_655 4_565 130.72(3) Se3 Sm2 Se1 2_656 4_565 131.77(3) Se4 Sm2 Se1 2_655 4_565 75.55(3) Cu Sm2 Se1 2_556 4_565 49.07(4) Cu Sm2 Se1 4_564 4_565 47.21(4) Se7 Sm3 Se6 1_454 . 97.23(5) Se7 Sm3 Se1 1_454 . 76.86(2) Se6 Sm3 Se1 . . 79.60(3) Se7 Sm3 Se1 1_454 4_565 76.86(2) Se6 Sm3 Se1 . 4_565 79.60(3) Se1 Sm3 Se1 . 4_565 143.87(5) Se7 Sm3 Se3 1_454 1_554 93.76(4) Se6 Sm3 Se3 . 1_554 153.67(2) Se1 Sm3 Se3 . 1_554 79.73(3) Se1 Sm3 Se3 4_565 1_554 126.34(3) Se7 Sm3 Se3 1_454 4_564 93.76(4) Se6 Sm3 Se3 . 4_564 153.67(2) Se1 Sm3 Se3 . 4_564 126.35(3) Se1 Sm3 Se3 4_565 4_564 79.73(3) Se3 Sm3 Se3 1_554 4_564 47.84(4) Se7 Sm3 Se5 1_454 . 155.06(2) Se6 Sm3 Se5 . . 76.02(4) Se1 Sm3 Se5 . . 78.30(3) Se1 Sm3 Se5 4_565 . 124.12(3) Se3 Sm3 Se5 1_554 . 83.97(3) Se3 Sm3 Se5 4_564 . 102.75(3) Se7 Sm3 Se5 1_454 4_565 155.05(2) Se6 Sm3 Se5 . 4_565 76.02(4) Se1 Sm3 Se5 . 4_565 124.12(3) Se1 Sm3 Se5 4_565 4_565 78.29(3) Se3 Sm3 Se5 1_554 4_565 102.75(3) Se3 Sm3 Se5 4_564 4_565 83.97(3) Se5 Sm3 Se5 . 4_565 47.37(4) Se6 Sm4 Se7 1_655 . 100.92(5) Se6 Sm4 Se2 1_655 2_646 77.95(2) Se7 Sm4 Se2 . 2_646 79.84(2) Se6 Sm4 Se2 1_655 3_666 77.94(2) Se7 Sm4 Se2 . 3_666 79.84(3) Se2 Sm4 Se2 2_646 3_666 144.69(5) Se6 Sm4 Se5 1_655 . 92.60(4) Se7 Sm4 Se5 . . 152.32(3) Se2 Sm4 Se5 2_646 . 79.54(3) Se2 Sm4 Se5 3_666 . 126.94(3) Se6 Sm4 Se5 1_655 4_565 92.60(4) Se7 Sm4 Se5 . 4_565 152.32(3) Se2 Sm4 Se5 2_646 4_565 126.94(3) Se2 Sm4 Se5 3_666 4_565 79.54(3) Se5 Sm4 Se5 . 4_565 48.48(4) Se6 Sm4 Se3 1_655 . 156.20(2) Se7 Sm4 Se3 . . 75.46(4) Se2 Sm4 Se3 2_646 . 78.27(3) Se2 Sm4 Se3 3_666 . 123.42(3) Se5 Sm4 Se3 . . 82.42(3) Se5 Sm4 Se3 4_565 . 101.13(3) Se6 Sm4 Se3 1_655 4_565 156.20(2) Se7 Sm4 Se3 . 4_565 75.46(4) Se2 Sm4 Se3 2_646 4_565 123.42(3) Se2 Sm4 Se3 3_666 4_565 78.27(3) Se5 Sm4 Se3 . 4_565 101.13(3) Se5 Sm4 Se3 4_565 4_565 82.42(3) Se3 Sm4 Se3 . 4_565 46.62(4) Se2 Cu Se4 2_546 3_656 128.02(7) Se2 Cu Se1 2_546 1_556 118.65(7) Se4 Cu Se1 3_656 1_556 102.01(7) Se2 Cu Se1 2_546 3_556 96.41(6) Se4 Cu Se1 3_656 3_556 118.23(7) Se1 Cu Se1 1_556 3_556 86.47(6) Se2 Cu Sm2 2_546 2_546 63.50(4) Se4 Cu Sm2 3_656 2_546 164.16(8) Se1 Cu Sm2 1_556 2_546 62.37(4) Se1 Cu Sm2 3_556 2_546 66.01(4) Se2 Cu Sm2 2_546 4_566 157.61(8) Se4 Cu Sm2 3_656 4_566 66.44(4) Se1 Cu Sm2 1_556 4_566 66.91(4) Se1 Cu Sm2 3_556 4_566 61.52(4) Sm2 Cu Sm2 2_546 4_566 106.70(5) Se2 Cu Sm1 2_546 . 62.66(4) Se4 Cu Sm1 3_656 . 65.78(4) Se1 Cu Sm1 1_556 . 135.17(7) Se1 Cu Sm1 3_556 . 138.06(7) Sm2 Cu Sm1 2_546 . 122.56(5) Sm2 Cu Sm1 4_566 . 130.73(5) Cu Se1 Cu 1_554 3_556 93.54(6) Cu Se1 Sm1 1_554 . 152.56(5) Cu Se1 Sm1 3_556 . 84.10(5) Cu Se1 Sm2 1_554 2_545 68.95(4) Cu Se1 Sm2 3_556 2_545 67.91(4) Sm1 Se1 Sm2 . 2_545 133.33(4) Cu Se1 Sm3 1_554 . 104.68(5) Cu Se1 Sm3 3_556 . 153.92(6) Sm1 Se1 Sm3 . . 87.83(3) Sm2 Se1 Sm3 2_545 . 101.12(3) Cu Se1 Sm2 1_554 4_565 65.88(4) Cu Se1 Sm2 3_556 4_565 64.92(4) Sm1 Se1 Sm2 . 4_565 88.70(3) Sm2 Se1 Sm2 2_545 4_565 110.10(3) Sm3 Se1 Sm2 . 4_565 139.77(4) Cu Se2 Sm1 2_556 2_556 71.67(5) Cu Se2 Sm2 2_556 . 70.54(5) Sm1 Se2 Sm2 2_556 . 137.05(4) Cu Se2 Sm4 2_556 3_666 127.90(6) Sm1 Se2 Sm4 2_556 3_666 100.77(3) Sm2 Se2 Sm4 . 3_666 86.92(3) Cu Se2 Sm1 2_556 4_565 85.57(5) Sm1 Se2 Sm1 2_556 4_565 106.54(3) Sm2 Se2 Sm1 . 4_565 90.16(3) Sm4 Se2 Sm1 3_666 4_565 142.48(4) Se3 Se3 Sm3 4_565 1_556 66.078(19) Se3 Se3 Sm1 4_565 . 119.94(2) Sm3 Se3 Sm1 1_556 . 131.86(4) Se3 Se3 Sm2 4_565 2_646 118.96(2) Sm3 Se3 Sm2 1_556 2_646 95.76(3) Sm1 Se3 Sm2 . 2_646 114.91(3) Se3 Se3 Sm4 4_565 . 66.692(19) Sm3 Se3 Sm4 1_556 . 124.49(3) Sm1 Se3 Sm4 . . 96.65(3) Sm2 Se3 Sm4 2_646 . 82.86(3) Cu Se4 Sm2 3_656 4_565 119.28(6) Cu Se4 Sm1 3_656 . 151.77(6) Sm2 Se4 Sm1 4_565 . 88.82(3) Cu Se4 Sm1 3_656 3_656 68.99(4) Sm2 Se4 Sm1 4_565 3_656 115.37(3) Sm1 Se4 Sm1 . 3_656 97.82(3) Cu Se4 Sm2 3_656 2_645 68.06(5) Sm2 Se4 Sm2 4_565 2_645 95.84(3) Sm1 Se4 Sm2 . 2_645 114.72(3) Sm1 Se4 Sm2 3_656 2_645 135.38(4) Se5 Se5 Sm4 4_565 . 65.76(2) Se5 Se5 Sm2 4_565 2_645 118.93(2) Sm4 Se5 Sm2 . 2_645 131.75(4) Se5 Se5 Sm3 4_565 . 66.318(19) Sm4 Se5 Sm3 . . 124.83(4) Sm2 Se5 Sm3 2_645 . 95.01(3) Se5 Se5 Sm1 4_565 . 119.35(2) Sm4 Se5 Sm1 . . 97.80(3) Sm2 Se5 Sm1 2_645 . 114.59(3) Sm3 Se5 Sm1 . . 83.06(3) Sm4 Se6 Sm3 1_455 . 133.67(6) Sm4 Se6 Sm1 1_455 . 104.62(3) Sm3 Se6 Sm1 . . 90.30(3) Sm4 Se6 Sm1 1_455 4_565 104.61(3) Sm3 Se6 Sm1 . 4_565 90.30(3) Sm1 Se6 Sm1 . 4_565 138.54(5) Sm3 Se7 Sm4 1_656 . 129.98(6) Sm3 Se7 Sm2 1_656 2_646 106.00(3) Sm4 Se7 Sm2 . 2_646 90.56(3) Sm3 Se7 Sm2 1_656 3_666 106.00(3) Sm4 Se7 Sm2 . 3_666 90.56(3) Sm2 Se7 Sm2 2_646 3_666 136.82(5) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Sm1 Se1 . 2.9400(12) y Sm1 Se2 2_546 2.9606(12) y Sm1 Se6 . 2.9611(8) y Sm1 Se2 4_565 3.0512(11) y Sm1 Se4 . 3.0643(11) y Sm1 Se3 . 3.0662(11) y Sm1 Se4 3_656 3.0909(11) y Sm1 Se5 . 3.1062(11) y Sm1 Cu . 3.1639(17) ? Sm2 Se7 3_666 2.9300(8) y Sm2 Se2 . 2.9676(12) y Sm2 Se1 2 2.9682(12) y Sm2 Se4 4_565 3.0263(11) y Sm2 Se5 2_655 3.0544(11) y Sm2 Se3 2_656 3.0667(11) y Sm2 Se4 2_655 3.0920(11) y Sm2 Cu 2_556 3.1266(16) ? Sm2 Cu 4_564 3.1288(17) ? Sm2 Se1 4_565 3.1536(11) y Sm3 Se7 1_454 2.8381(16) y Sm3 Se6 . 2.8461(16) y Sm3 Se1 . 2.9968(10) y Sm3 Se1 4_565 2.9969(10) y Sm3 Se3 1_554 3.0563(12) y Sm3 Se3 4_564 3.0563(12) y Sm3 Se5 . 3.1047(12) y Sm3 Se5 4_565 3.1047(12) y Sm4 Se6 1_655 2.8368(16) y Sm4 Se7 . 2.8426(16) y Sm4 Se2 2_646 2.9956(10) y Sm4 Se2 3_666 2.9957(10) y Sm4 Se5 . 3.0374(12) y Sm4 Se5 4_565 3.0374(12) y Sm4 Se3 . 3.1320(12) y Sm4 Se3 4_565 3.1320(12) y Cu Se2 2_546 2.3840(18) y Cu Se4 3_656 2.4063(18) y Cu Se1 1_556 2.516(2) y Cu Se1 3_556 2.608(2) y Cu Sm2 2_546 3.1266(16) ? Cu Sm2 4_566 3.1288(17) ? Se1 Cu 1_554 2.516(2) ? Se1 Cu 3_556 2.608(2) ? Se1 Sm2 2_545 2.9682(12) ? Se1 Sm2 4_565 3.1536(11) ? Se2 Cu 2_556 2.3840(18) ? Se2 Sm1 2_556 2.9605(12) ? Se2 Sm4 3_666 2.9957(10) ? Se2 Sm1 4_565 3.0513(11) ? Se3 Se3 4_565 2.479(2) y Se3 Sm3 1_556 3.0563(12) ? Se3 Sm2 2_646 3.0667(11) ? Se4 Cu 3_656 2.4063(18) ? Se4 Sm2 4_565 3.0263(11) ? Se4 Sm1 3_656 3.0909(11) ? Se4 Sm2 2_645 3.0919(11) ? Se5 Se5 4_565 2.494(2) y Se5 Sm2 2_645 3.0543(11) ? Se6 Sm4 1_455 2.8368(16) ? Se6 Sm1 4_565 2.9611(8) ? Se7 Sm3 1_656 2.8382(16) ? Se7 Sm2 2_646 2.9299(8) ? Se7 Sm2 3_666 2.9300(8) ?