data_global _chemical_name_mineral 'Anthophyllite' loop_ _publ_author_name 'Walitzi E M' 'Walter F' 'Ettinger K' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 188 _journal_year 1989 _journal_page_first 237 _journal_page_last 244 _publ_section_title ; Verfeinerung der kristallstruktur von anthophyllit vom Ochsenkogel/Gleinalpe, Osterreich ; _database_code_amcsd 0010994 _chemical_formula_sum 'Na.01 Ca.02 Mg5.71 Fe1.24 Mn.02 (Si7.95 Al.05) O24 H2' _cell_length_a 18.544 _cell_length_b 18.026 _cell_length_c 5.282 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1765.636 _exptl_crystal_density_diffrn 3.088 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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 Na4 0.12390 -0.00940 0.38970 0.00500 0.01013 Ca4 0.12390 -0.00940 0.38970 0.01000 0.01013 Mg4 0.12390 -0.00940 0.38970 0.38000 0.01013 Fe4 0.12390 -0.00940 0.38970 0.59500 0.01013 Mn4 0.12390 -0.00940 0.38970 0.01000 0.01013 Fel 0.12510 0.16340 0.39300 0.02000 0.00709 Mgl 0.12510 0.16340 0.39300 0.98000 0.00709 Mg2 0.12500 0.07310 -0.10840 1.00000 0.00697 Fe3 0.12550 0.25000 -0.10700 0.01000 0.00659 Mg3 0.12550 0.25000 -0.10700 0.99000 0.00659 Si1A 0.23050 -0.16550 -0.43300 0.99375 0.00570 Al1A 0.23050 -0.16550 -0.43300 0.00625 0.00570 Si1B 0.01860 -0.16640 0.27430 0.99375 0.00608 Al1B 0.01860 -0.16640 0.27430 0.00625 0.00608 Si2A 0.22710 -0.07980 0.06370 0.99375 0.00646 Al2A 0.22710 -0.07980 0.06370 0.00625 0.00646 Si2B 0.02450 -0.08170 -0.22460 0.99375 0.00671 Al2B 0.02450 -0.08170 -0.22460 0.00625 0.00671 O1A 0.18250 0.16350 0.05990 1.00000 0.00811 O1B 0.06820 0.16360 -0.27250 1.00000 0.00861 O2A 0.18570 0.07730 -0.43700 1.00000 0.00798 O2B 0.06310 0.07720 0.22090 1.00000 0.00899 O-H3A 0.18310 0.25000 -0.44270 1.00000 0.00963 O-H3B 0.06970 0.25000 0.22700 1.00000 0.00823 O4A 0.18680 -0.00120 0.07430 1.00000 0.01077 O4B 0.06680 -0.00680 -0.29080 1.00000 0.00975 O5A 0.19730 -0.11780 0.33210 1.00000 0.01039 O5B 0.05040 -0.11180 0.05650 1.00000 0.00747 O6A 0.20030 -0.13100 -0.17120 1.00000 0.00988 O6B 0.04860 -0.14040 -0.44960 1.00000 0.01115 O7A 0.20250 0.75000 0.54050 1.00000 0.01013 O7B 0.04640 0.75000 0.22200 1.00000 0.01115 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 Na4 0.01150 0.01130 0.00780 0.00170 0.00310 0.00150 Ca4 0.01150 0.01130 0.00780 0.00170 0.00310 0.00150 Mg4 0.01150 0.01130 0.00780 0.00170 0.00310 0.00150 Fe4 0.01150 0.01130 0.00780 0.00170 0.00310 0.00150 Mn4 0.01150 0.01130 0.00780 0.00170 0.00310 0.00150 Fel 0.00890 0.00520 0.00700 -0.00010 -0.00050 0.00050 Mgl 0.00890 0.00520 0.00700 -0.00010 -0.00050 0.00050 Mg2 0.00890 0.00480 0.00720 -0.00010 -0.00040 -0.00010 Fe3 0.00750 0.00580 0.00630 0.00000 -0.00170 0.00000 Mg3 0.00750 0.00580 0.00630 0.00000 -0.00170 0.00000 Si1A 0.00640 0.00520 0.00570 -0.00010 0.00040 -0.00090 Al1A 0.00640 0.00520 0.00570 -0.00010 0.00040 -0.00090 Si1B 0.00630 0.00520 0.00680 -0.00010 -0.00090 -0.00020 Al1B 0.00630 0.00520 0.00680 -0.00010 -0.00090 -0.00020 Si2A 0.00660 0.00620 0.00660 0.00020 -0.00060 -0.00040 Al2A 0.00660 0.00620 0.00660 0.00020 -0.00060 -0.00040 Si2B 0.00790 0.00650 0.00560 -0.00100 0.00050 -0.00060 Al2B 0.00790 0.00650 0.00560 -0.00100 0.00050 -0.00060 O1A 0.00890 0.00630 0.00920 -0.00010 0.00060 0.00100 O1B 0.01130 0.00730 0.00730 0.00090 -0.00110 -0.00020 O2A 0.00910 0.00850 0.00630 -0.00010 -0.00010 0.00090 O2B 0.00660 0.01020 0.01040 -0.00090 -0.00160 0.00010 O-H3A 0.01240 0.00760 0.00900 0.00000 0.00110 0.00000 O-H3B 0.01300 0.00720 0.00470 0.00000 0.00070 0.00000 O4A 0.01260 0.01010 0.00970 0.00360 0.00140 -0.00060 O4B 0.00940 0.00880 0.01120 -0.00220 0.00020 0.00270 O5A 0.01030 0.01350 0.00730 -0.00020 -0.00150 0.00310 O5B 0.00800 0.00820 0.00620 -0.00230 -0.00150 0.00250 O6A 0.01160 0.01040 0.00770 -0.00140 0.00100 -0.00470 O6B 0.01120 0.01210 0.01000 0.00220 -0.00010 -0.00250 O7A 0.01380 0.00360 0.01310 0.00000 -0.00340 0.00000 O7B 0.00800 0.00710 0.01820 0.00000 0.00140 0.00000