data_global _chemical_name_mineral 'Wicksite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 35 _journal_year 1997 _journal_page_first 777 _journal_page_last 784 _publ_section_title ; The crystal structure of wicksite ; _database_code_amcsd 0005528 _chemical_formula_sum 'P6 Fe4.24 Mg.96 Al.18 Mn.6 Ca2 Na H4 O26' _cell_length_a 12.524 _cell_length_b 12.907 _cell_length_c 11.646 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1882.544 _exptl_crystal_density_diffrn 3.553 _symmetry_space_group_name_H-M 'P c a b' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2-z' '-x,1/2-y,1/2+z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-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 P1 0.39144 0.30143 0.22496 1.00000 ? P2 0.10100 0.44304 0.25356 1.00000 ? P3 0.26745 0.12409 0.47592 1.00000 ? FeM1 0.15443 0.20669 0.22665 0.78000 ? MgM1 0.15443 0.20669 0.22665 0.21000 ? FeM2 0.33291 0.04305 0.22587 0.64000 ? MgM2 0.33291 0.04305 0.22587 0.27000 ? AlM2 0.33291 0.04305 0.22587 0.09000 ? FeM3 0.02571 0.26873 0.45508 0.70000 ? MnM3 0.02571 0.26873 0.45508 0.30000 ? Ca 0.26395 0.37404 0.49346 1.00000 ? Na 0.00000 0.00000 0.00000 1.00000 ? H1 0.01300 0.08500 0.54900 1.00000 0.07000 H2 -0.00700 0.07400 0.42100 1.00000 0.07000 O1 0.49890 0.27540 0.28200 1.00000 ? O2 0.40920 0.33800 0.10080 1.00000 ? O3 0.32160 0.20270 0.22150 1.00000 ? O4 0.33580 0.38500 0.29730 1.00000 ? O5 0.16600 0.54440 0.25510 1.00000 ? O6 0.15500 0.36250 0.17650 1.00000 ? O7 0.09380 0.40340 0.37840 1.00000 ? O8 -0.00970 0.46600 0.20130 1.00000 ? O9 0.19230 0.20330 0.41650 1.00000 ? O10 0.35270 0.18970 0.54000 1.00000 ? O11 0.20090 0.05190 0.55390 1.00000 ? O12 0.32970 0.05090 0.39590 1.00000 ? O13 -0.02760 0.11650 0.48640 1.00000 ? 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 P1 0.00740 0.00790 0.00680 -0.00010 -0.00010 -0.00060 P2 0.00790 0.00720 0.00710 0.00010 -0.00020 -0.00010 P3 0.01020 0.00690 0.00810 -0.00010 -0.00100 -0.00010 FeM1 0.00850 0.00830 0.01050 0.00060 0.00090 0.00110 MgM1 0.00850 0.00830 0.01050 0.00060 0.00090 0.00110 FeM2 0.00730 0.00720 0.00700 0.00060 -0.00010 -0.00030 MgM2 0.00730 0.00720 0.00700 0.00060 -0.00010 -0.00030 AlM2 0.00730 0.00720 0.00700 0.00060 -0.00010 -0.00030 FeM3 0.02070 0.01380 0.01000 -0.00710 -0.00240 0.00020 MnM3 0.02070 0.01380 0.01000 -0.00710 -0.00240 0.00020 Ca 0.01200 0.01170 0.01030 -0.00140 -0.00120 0.00160 Na 0.02320 0.03720 0.03920 0.00720 -0.00470 0.02260 O1 0.00860 0.01440 0.01140 0.00170 -0.00200 -0.00030 O2 0.01450 0.01380 0.00730 0.00150 0.00160 0.00110 O3 0.01050 0.01220 0.01640 -0.00240 -0.00020 -0.00010 O4 0.01030 0.01390 0.01100 0.00150 0.00070 -0.00370 O5 0.01630 0.00780 0.01320 -0.00270 0.00080 0.00060 O6 0.01130 0.00990 0.00880 0.00060 0.00060 -0.00150 O7 0.01440 0.01160 0.00720 0.00050 0.00060 0.00110 O8 0.01220 0.01930 0.01550 0.00490 -0.00250 0.00030 O9 0.01390 0.01000 0.01140 0.00230 -0.00050 0.00160 O10 0.01620 0.01440 0.01250 -0.00540 -0.00190 -0.00220 O11 0.01650 0.00880 0.01260 -0.00310 -0.00120 0.00160 O12 0.01840 0.01520 0.01270 0.00870 -0.00340 -0.00370 O13 0.01860 0.01430 0.01240 0.00200 0.00020 0.00170