data_global _chemical_name_mineral 'Penninite' loop_ _publ_author_name 'Joswig W' 'Fuess H' 'Rothbauer R' 'Takeuchi Y' 'Mason S A' _journal_name_full 'American Mineralogist' _journal_volume 65 _journal_year 1980 _journal_page_first 349 _journal_page_last 352 _publ_section_title ; A neutron diffraction study of a one-layer triclinic chlorite (penninite) ; _database_code_amcsd 0000779 _chemical_formula_sum 'Mg4.9 Fe.3 Al1.64 Si3.16 O17.98 H7.86' _cell_length_a 5.3266 _cell_length_b 9.232 _cell_length_c 14.399 _cell_angle_alpha 90. _cell_angle_beta 97.16 _cell_angle_gamma 90. _cell_volume 702.552 _exptl_crystal_density_diffrn 2.668 _symmetry_space_group_name_H-M 'C -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mgt1 0.00000 0.00000 0.00000 0.80000 Fet1 0.00000 0.00000 0.00000 0.10000 Alt1 0.00000 0.00000 0.00000 0.10000 Mgt2 0.00070 0.33360 -0.00004 0.80000 Fet2 0.00070 0.33360 -0.00004 0.10000 Alt2 0.00070 0.33360 -0.00004 0.10000 Mgb1 0.00040 0.16670 0.50000 0.87500 Alb1 0.00040 0.16670 0.50000 0.12500 Mgb2 0.00000 0.50000 0.50000 0.75000 Alb2 0.00000 0.50000 0.50000 0.25000 Si1 0.23100 0.16720 0.19170 0.79000 Al1 0.23100 0.16720 0.19170 0.21000 Si2 0.73140 0.00070 0.19170 0.79000 Al2 0.73140 0.00070 0.19170 0.21000 O1 0.19320 0.16710 0.07697 1.00000 O2 0.69220 0.00020 0.07689 1.00000 O3 0.21200 0.33410 0.23254 1.00000 O4 0.51140 0.10030 0.23259 1.00000 O5 0.01120 0.06760 0.23249 1.00000 O6 0.69140 0.33340 0.07300 0.99000 O7 0.14650 -0.00020 0.43010 1.00000 O8 0.14170 0.33460 0.43010 1.00000 O9 0.64130 0.16490 0.43030 1.00000 H1 0.71390 0.33390 0.13990 0.93000 H2 0.11930 0.00540 0.36320 1.00000 H3 0.13030 0.33530 0.36290 1.00000 H4 0.61430 0.15940 0.36350 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 Mgt1 0.00380 0.00510 0.00940 0.00150 0.00080 0.00060 Fet1 0.00380 0.00510 0.00940 0.00150 0.00080 0.00060 Alt1 0.00380 0.00510 0.00940 0.00150 0.00080 0.00060 Mgt2 0.00610 0.00520 0.00690 -0.00020 0.00020 -0.00030 Fet2 0.00610 0.00520 0.00690 -0.00020 0.00020 -0.00030 Alt2 0.00610 0.00520 0.00690 -0.00020 0.00020 -0.00030 Mgb1 0.00510 0.00410 0.01220 0.00010 0.00160 0.00090 Alb1 0.00510 0.00410 0.01220 0.00010 0.00160 0.00090 Mgb2 0.00490 0.00510 0.01040 -0.00010 0.00110 -0.00040 Alb2 0.00490 0.00510 0.01040 -0.00010 0.00110 -0.00040 Si1 0.00420 0.00260 0.00730 0.00050 0.00200 0.00110 Al1 0.00420 0.00260 0.00730 0.00050 0.00200 0.00110 Si2 0.00440 0.00190 0.00720 -0.00040 0.00120 -0.00110 Al2 0.00440 0.00190 0.00720 -0.00040 0.00120 -0.00110 O1 0.00530 0.00580 0.00640 -0.00080 0.00060 -0.00030 O2 0.00590 0.00610 0.00660 0.00010 0.00150 0.00030 O3 0.02090 0.00910 0.01190 0.00100 0.00400 -0.00010 O4 0.01430 0.01690 0.01100 0.00380 0.00080 -0.00140 O5 0.01350 0.01850 0.01070 -0.00290 0.00130 0.00100 O6 0.00730 0.00610 0.00640 0.00150 0.00110 0.00040 O7 0.01640 0.01330 0.00750 0.00020 0.00090 0.00060 O8 0.01700 0.01420 0.00740 0.00000 0.00180 -0.00060 O9 0.01040 0.01470 0.00900 0.00070 0.00010 -0.00050 H1 0.03600 0.03640 0.00460 0.00170 -0.00020 -0.00050 H2 0.03810 0.03840 0.01000 -0.00140 0.00340 0.00020 H3 0.04300 0.03800 0.01150 0.00000 0.00100 -0.00010 H4 0.03810 0.03830 0.01750 0.00410 0.00120 -0.00110