data_global _chemical_name_mineral 'Strunzite' loop_ _publ_author_name 'Grey I E' 'Macrae C M' 'Keck E' 'Birch W D' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 1165 _journal_page_last 1174 _publ_section_title ; Aluminium-bearing strunzite derived from jahnsite at the Hagendorf-Sud pegmatite, Germany ; _database_code_amcsd 0019617 _chemical_compound_source 'Hagendorf-Sud pegmatite, Germany' _chemical_formula_sum 'Mn (Fe1.44 Al.56) P2 O16 H14' _cell_length_a 10.277 _cell_length_b 9.826 _cell_length_c 7.205 _cell_angle_alpha 90.077 _cell_angle_beta 98.865 _cell_angle_gamma 118.442 _cell_volume 629.770 _exptl_crystal_density_diffrn 2.545 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,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 Mn 0.50020 0.32890 0.24970 1.00000 0.01800 Fe(1) 0.96940 0.24390 0.13840 0.72000 0.01200 Al(1) 0.96940 0.24390 0.13840 0.28000 0.01200 Fe(2) 0.03010 0.77410 0.36180 0.72000 0.01300 Al(2) 0.03010 0.77410 0.36180 0.28000 0.01300 P(1) 0.81320 0.46660 0.05840 1.00000 0.01200 P(2) 0.18690 0.15270 0.44150 1.00000 0.01300 O(1) 0.64740 0.40220 0.06350 1.00000 0.02500 O(2) 0.84170 0.33040 0.02140 1.00000 0.02300 O(3) 0.90970 0.55590 0.24710 1.00000 0.01600 O(4) 0.84960 0.57060 0.89440 1.00000 0.01900 O(5) 0.09010 0.14560 0.25120 1.00000 0.01600 O(6) 0.15640 -0.01220 0.47770 1.00000 0.02100 O(7) 0.35150 0.25150 0.43790 1.00000 0.02400 O(8) 0.15290 0.22260 0.60360 1.00000 0.01900 O-h1 0.96150 0.30940 0.39170 1.00000 0.01900 O-h2 0.03840 0.84740 0.10840 1.00000 0.02000 Ow1 0.30870 0.24070 0.01200 1.00000 0.02700 Ow2 0.69220 0.43300 0.48820 1.00000 0.02500 Ow3 0.49970 0.55110 0.25020 1.00000 0.02900 Ow4 0.50320 0.10240 0.25040 1.00000 0.05900 Ow5 0.23170 0.77660 0.33610 1.00000 0.02700 Ow6 -0.23190 0.04560 0.16520 1.00000 0.02400 HOh1 0.94600 0.38000 0.38400 1.00000 0.03900 HOh2 0.03600 0.92700 0.12200 1.00000 0.03900 H1A 0.31100 0.27700 -0.09100 1.00000 0.03900 H1B 0.25000 0.25000 0.05700 1.00000 0.03900 H2A 0.67700 0.47200 0.57700 1.00000 0.03900 H2B 0.76800 0.49000 0.45900 1.00000 0.03900 H3A 0.55400 0.62400 0.32900 1.00000 0.03900 H3B 0.42600 0.50700 0.29500 1.00000 0.03900 H4A 0.49200 0.11100 0.14000 1.00000 0.03900 H4B 0.42900 0.03800 0.28000 1.00000 0.03900 H5A 0.21300 0.73600 0.22900 1.00000 0.03900 H5B 0.24200 0.71400 0.40000 1.00000 0.03900 H6A -0.19500 0.02900 0.26000 1.00000 0.03900 H6B -0.24500 -0.02700 0.09700 1.00000 0.03900 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 Mn 0.01500 0.01600 0.02400 0.00900 0.00100 -0.00100 Fe(1) 0.01300 0.00900 0.01400 0.00800 -0.00400 -0.00300 Al(1) 0.01300 0.00900 0.01400 0.00800 -0.00400 -0.00300 Fe(2) 0.01500 0.00800 0.01600 0.00800 -0.00400 -0.00400 Al(2) 0.01500 0.00800 0.01600 0.00800 -0.00400 -0.00400 P(1) 0.01200 0.00800 0.01700 0.00600 -0.00100 -0.00200 P(2) 0.01300 0.01000 0.01600 0.00700 -0.00300 -0.00100 O(1) 0.01600 0.03500 0.02000 0.00900 0.00000 0.00000 O(2) 0.03100 0.02000 0.02100 0.01900 -0.01000 -0.00700 O(3) 0.02100 0.01500 0.01600 0.01200 0.00000 -0.00200 O(4) 0.02400 0.01500 0.01500 0.01000 -0.00300 0.00100 O(5) 0.01400 0.01500 0.01900 0.00900 -0.00500 -0.00200 O(6) 0.02900 0.01900 0.01900 0.01900 -0.00500 0.00100 O(7) 0.01600 0.02900 0.02000 0.00600 -0.00100 -0.00400 O(8) 0.01200 0.01700 0.02500 0.00700 -0.00400 -0.00400 O-h1 0.02500 0.01900 0.02000 0.01800 -0.00400 -0.00300 O-h2 0.02900 0.01000 0.02300 0.01300 -0.00600 -0.00500 Ow1 0.02600 0.03000 0.03000 0.02000 0.00100 -0.00400 Ow2 0.02100 0.01800 0.03000 0.00700 0.00000 -0.00100 Ow3 0.03500 0.02000 0.02800 0.01400 -0.00700 -0.00500 Ow4 0.06800 0.02800 0.08700 0.02900 0.00700 0.00000 Ow5 0.03000 0.03000 0.02800 0.02200 -0.00200 -0.00300 Ow6 0.02800 0.01800 0.02200 0.01200 -0.00500 -0.00300