data_global _chemical_name_mineral 'Metaschoepite' loop_ _publ_author_name 'Klingensmith A L' 'Deely K M' 'Kinman W S' 'Kelly V' 'Burns P C' _journal_name_full 'American Mineralogist' _journal_volume 92 _journal_year 2007 _journal_page_first 662 _journal_page_last 669 _publ_section_title ; Neptunium incorporation in sodium-substituted metaschoepite Locality: synthetic Sample: Na-Ms-AB2 ; _chemical_formula_sum 'Na.47 U8 O37.082 H34' _cell_length_a 14.6592 _cell_length_b 14.0358 _cell_length_c 16.7148 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3439.130 _exptl_crystal_density_diffrn 4.911 _symmetry_space_group_name_H-M 'P b c n' loop_ _symmetry_equiv_pos_as_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 Na21 0.51000 0.68400 0.27600 0.23500 0.04000 U1 0.23414 0.74380 0.37476 1.00000 0.01425 U2 0.28636 0.76851 0.60317 1.00000 0.01568 U3 0.25637 0.51220 0.23922 1.00000 0.01576 U4 0.25652 0.51717 0.51109 1.00000 0.01603 O1 0.16830 0.74580 0.61260 1.00000 0.03200 O2 0.14520 0.46160 0.23190 1.00000 0.02900 O3 0.12250 0.74500 0.41630 1.00000 0.02020 O4 0.40570 0.78450 0.59640 1.00000 0.01940 O5 0.36990 0.56010 0.25110 1.00000 0.02280 O6 0.14070 0.54890 0.52930 1.00000 0.02660 O7 0.34490 0.74630 0.33100 1.00000 0.02610 O8 0.37210 0.48400 0.48950 1.00000 0.02930 O9 0.25240 0.92250 0.61750 1.00000 0.02900 O-H10 0.20530 0.36170 0.46850 1.00000 0.01870 O-H11 0.29660 0.67360 0.48810 1.00000 0.04000 O-H12 0.21230 0.56340 0.37260 1.00000 0.01790 O-H13 0.31230 0.60050 0.63870 1.00000 0.01680 O-H14 0.18690 0.68300 0.24350 1.00000 0.01690 O-H15 0.18800 0.88480 0.31350 1.00000 0.01800 Wat16A 0.00000 0.75100 0.25000 0.38000 0.04000 Wat16B 0.00000 0.65430 0.25000 0.48000 0.04000 Wat17 0.50040 0.41640 0.14270 0.68100 0.04000 Wat18 -0.02340 0.64490 0.57050 0.80100 0.04000 Wat19 0.02940 0.54960 0.37010 0.77700 0.04000 Wat20 0.49590 0.64040 0.41990 0.59700 0.04000 Wat22 0.50000 0.80890 0.25000 0.51000 0.04000 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 0.01970 0.01137 0.01163 -0.00003 -0.00099 -0.00143 U2 0.02500 0.01074 0.01126 0.00214 -0.00102 -0.00153 U3 0.02760 0.01094 0.00872 0.00096 -0.00104 0.00007 U4 0.02490 0.01192 0.01126 -0.00124 0.00134 0.00111 O1 0.03100 0.01500 0.04900 -0.00100 -0.01100 -0.00200 O2 0.03500 0.03100 0.02100 0.00300 -0.00400 -0.00400 O3 0.01700 0.02100 0.02200 0.00000 0.00500 0.00500 O4 0.02000 0.01500 0.02300 -0.00400 0.00000 0.00300 O5 0.03100 0.01300 0.02500 -0.00300 -0.00400 0.00000 O6 0.02700 0.02700 0.02600 0.00000 0.00300 -0.00600 O7 0.02000 0.03100 0.02700 0.00100 0.00200 -0.01200 O8 0.02200 0.04100 0.02600 0.00500 -0.00200 0.00300 O9 0.06300 0.01000 0.01300 0.00500 0.00300 -0.00100 OH10 0.03700 0.00700 0.01200 0.00300 0.00700 0.00200 OH11 0.09100 0.01600 0.01200 -0.00800 -0.02600 0.00300 OH12 0.03500 0.01200 0.00700 0.00800 0.00200 0.00200 OH13 0.03000 0.00900 0.01100 -0.00400 -0.00100 0.00100 OH14 0.02200 0.01600 0.01200 -0.00700 -0.00100 -0.00100