data_global _chemical_name_mineral 'Haiweeite' loop_ _publ_author_name 'Plasil J' 'Fejfarova K' 'Cejka J' 'Dusek M' 'Skoda R' 'Sejkora J' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 718 _journal_page_last 723 _publ_section_title ; Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)2(Si5O12)(OH)2*6H2O ; _database_code_amcsd 0019934 _chemical_compound_source 'Teofilo Otoni, Minas Gerais, Brazil' _chemical_formula_sum 'U2 Ca Si5 O25.5 H17' _cell_length_a 18.3000 _cell_length_b 14.2331 _cell_length_c 17.9192 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 4667.337 _exptl_crystal_density_diffrn 3.079 _symmetry_space_group_name_H-M 'P b c n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv U1 0.24799 0.12566 0.03443 1.00000 0.01044 U2 0.25411 0.37558 0.13863 1.00000 0.00964 Ca 0.01502 0.87750 0.13941 1.00000 0.03280 Si1 0.24794 0.37570 -0.03695 1.00000 0.01200 Si2 0.25733 0.12490 0.20948 1.00000 0.01550 Si3 0.15180 0.17650 0.33460 1.00000 0.01880 Si4 0.22570 0.37610 0.33566 1.00000 0.01620 Si5 0.64340 0.07040 0.16410 1.00000 0.01680 O1 0.32090 0.37240 -0.09060 1.00000 0.02600 O2 0.15750 0.37000 0.14720 1.00000 0.02400 O3 0.18740 0.12280 0.26400 1.00000 0.02500 O4 0.24450 0.28790 0.02010 1.00000 0.01500 O5 0.25320 0.03830 0.15410 1.00000 0.01300 O-H6 0.06480 0.16580 0.33070 1.00000 0.03300 O7 0.35210 0.37930 0.12750 1.00000 0.02060 O8 0.32950 0.12400 0.26130 1.00000 0.02330 O9 0.27450 0.37830 0.26130 1.00000 0.02500 O-H10 0.55470 0.08060 0.16010 1.00000 0.03400 O11 0.24940 -0.03690 0.01790 1.00000 0.01600 O12 0.26040 0.21350 0.15340 1.00000 0.02000 O13 0.17080 0.28490 0.33230 1.00000 0.02900 O14 0.27170 0.37460 0.41120 1.00000 0.02600 O15 0.17720 0.37620 -0.09300 1.00000 0.02500 Wat16 0.04800 1.04290 0.15450 1.00000 0.06200 O17 0.16720 0.46320 0.33550 1.00000 0.02900 Wat18 -0.07960 0.92730 0.22900 0.50000 0.06600 Wat19 -0.09400 0.79250 0.11140 1.00000 0.05300 Wat20 0.04740 0.81200 0.01370 0.50000 0.09000 Wat20* 0.03740 0.87400 0.00800 0.50000 0.09000 Wat21 0.05310 0.71340 0.15130 0.50000 0.05100 Wat21* 0.04630 0.72580 0.19290 0.50000 0.05100 O22 0.15040 0.12480 0.04580 1.00000 0.02260 O23 0.34520 0.12700 0.02570 1.00000 0.02260 Wat24 0.07500 1.02200 -0.07450 0.50000 0.08600 Wat24* 0.05400 1.01600 -0.04460 0.50000 0.08600 Wat25 0.47000 0.00200 0.05600 0.50000 0.14700 Wat25* 0.48600 -0.11000 0.16000 0.50000 0.14700 Wat26 0.45800 -0.20600 0.05100 0.50000 0.06400 Wat26* 0.45100 -0.18100 0.01800 0.50000 0.06400 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 U1 0.02020 0.00590 0.00521 0.00036 -0.00001 -0.00030 U2 0.01740 0.00550 0.00600 0.00020 0.00013 -0.00060 Ca 0.02350 0.03580 0.03910 -0.00450 0.00430 -0.00850 Si1 0.02490 0.00580 0.00530 0.00230 -0.00430 -0.00100 Si2 0.03400 0.00600 0.00610 -0.00110 -0.00190 0.00000 Si3 0.02300 0.01670 0.01600 -0.00420 -0.00170 0.00330 Si4 0.03080 0.00960 0.00830 -0.00100 0.00020 -0.00130 Si5 0.02400 0.01460 0.01160 0.00150 0.00110 0.00150