data_global _chemical_name_mineral 'Demesmaekerite' loop_ _publ_author_name 'Ginderow D' 'Cesbron F' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 39 _journal_year 1983 _journal_page_first 824 _journal_page_last 827 _publ_section_title ; Structure de la demesmaekerite,Pb2Cu5(SeO3)6(UO2)2(OH)6*2H2O Note: anisoB's from ICSD ; _database_code_amcsd 0009977 _chemical_compound_source 'Musoni, Kolwezi, Shaba, Zaire' _chemical_formula_sum 'Pb2 Cu5 Se6 U2 O30 H10' _cell_length_a 11.955 _cell_length_b 10.039 _cell_length_c 5.639 _cell_angle_alpha 89.78 _cell_angle_beta 100.36 _cell_angle_gamma 91.34 _cell_volume 665.556 _exptl_crystal_density_diffrn 5.419 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb 0.19460 0.68900 0.32820 0.01431 Cu1 0.50000 0.50000 0.50000 0.01140 Cu2 0.38500 0.57670 0.93500 0.01393 Cu3 0.95370 0.44320 0.20800 0.01140 Se1 0.51210 0.16880 0.72600 0.01393 Se2 0.22140 0.37490 0.59400 0.01140 Se3 0.95390 0.11080 0.21230 0.00887 U 0.74743 0.91630 0.76080 0.00811 O1 0.30190 0.13650 0.98430 0.02786 O2 0.19740 0.03020 0.49330 0.02406 O3 0.83810 0.11610 0.98220 0.01267 O4 0.63120 0.09860 0.65800 0.02026 O5 0.57380 0.82850 0.54540 0.02280 O6 0.77710 0.69240 0.67890 0.01646 O7 0.93720 0.86460 0.94880 0.01267 O8 0.44390 0.67020 0.26070 0.02153 O9 0.33260 0.48280 0.61330 0.01900 O10 0.11340 0.48510 0.51780 0.01140 O11 0.05650 0.73910 0.65980 0.01267 O-H1 0.52510 0.59310 0.80380 0.01267 O-H2 0.76190 0.45870 0.96890 0.01393 O-H3 0.00630 0.61710 0.09650 0.01267 Wat 0.34030 0.79710 0.79850 0.03166 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 Pb 0.01611 0.01378 0.01231 -0.00120 0.00297 -0.00028 Cu1 0.01050 0.01429 0.00966 0.00120 0.00198 -0.00169 Cu2 0.00910 0.01888 0.01200 0.00120 0.00165 -0.00479 Cu3 0.01471 0.01123 0.00920 -0.00060 0.00463 0.00028 Se1 0.00980 0.01429 0.01777 0.00000 0.00198 -0.00085 Se2 0.01190 0.01072 0.01216 0.00299 0.00000 0.00000 Se3 0.00840 0.00867 0.00998 0.00120 0.00066 0.00085 U 0.00700 0.00765 0.00904 0.00060 0.00132 0.00028 O1 0.04132 0.01786 0.02323 -0.00717 0.00000 0.00903 O2 0.03641 0.02807 0.00655 -0.00359 0.00529 0.00536 O3 0.01120 0.00816 0.01855 0.00179 0.00198 -0.00282 O4 0.01821 0.01072 0.03289 0.00658 0.00264 -0.00451 O5 0.01401 0.01684 0.03351 0.00000 -0.00595 0.00733 O6 0.01541 0.01174 0.02214 0.00239 0.00396 -0.00592 O7 0.00840 0.01072 0.01637 -0.00299 -0.00132 0.00536 O8 0.02031 0.02500 0.01746 0.00538 -0.00330 -0.00931 O9 0.01050 0.02449 0.02260 -0.00538 0.05617 -0.00874 O10 0.01401 0.00970 0.01013 0.00179 0.00099 -0.00197 O11 0.01260 0.01123 0.01372 0.00120 0.00529 -0.00592 O-H1 0.00980 0.01378 0.01419 -0.00418 0.00363 -0.00282 O-H2 0.00910 0.01837 0.01294 0.00000 0.00297 -0.00226 O-H3 0.01120 0.01582 0.01169 0.00060 0.00760 -0.00113 Wat 0.02941 0.03827 0.02899 0.01554 0.00562 -0.00846