data_global _chemical_name_mineral 'Schoonerite' loop_ _publ_author_name 'Kampf A R' _journal_name_full 'American Mineralogist' _journal_volume 62 _journal_year 1977 _journal_page_first 250 _journal_page_last 255 _publ_section_title ; Schoonerite: its atomic arrangement Note: Wat1 x-coordinate changed from .260 to reproduce reported bond lengths ; _database_code_amcsd 0000562 _chemical_compound_source 'Palermo pegmatite, North Groton, New Hampshire, USA' _chemical_formula_sum 'Zn Mn Fe3 P3 O23 H20' _cell_length_a 11.119 _cell_length_b 25.546 _cell_length_c 6.437 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1828.404 _exptl_crystal_density_diffrn 2.793 _symmetry_space_group_name_H-M 'P m a b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' 'x,1/2+y,-z' '-x,1/2-y,z' '1/2-x,y,z' '1/2+x,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Zn 0.25000 0.10340 0.85380 0.02280 Mn 0.25000 0.41490 0.22550 0.01786 Fe1 0.00000 0.25000 0.08790 0.01368 Fe2 0.00000 0.25000 0.57700 0.01988 Fe3 0.25000 0.18710 0.32720 0.00849 P1 0.03030 0.11990 0.14270 0.00874 P2 0.25000 0.21690 0.82480 0.00671 O1 0.02400 0.32820 0.06000 0.01773 O2 0.06700 0.41530 0.22800 0.01393 O3 0.09100 0.09170 0.95700 0.02026 O4 0.12200 0.13200 0.32000 0.01520 O5 0.25000 0.18200 0.02200 0.00760 O6 0.25000 0.17880 0.63600 0.00887 O7 0.13600 0.25050 0.82500 0.01520 O-H 0.12400 0.24300 0.32900 0.01900 Wat1 0.02600 0.33290 0.61800 0.01393 Wat2 0.25000 0.34510 0.43700 0.01393 Wat3 0.25000 0.36230 0.95200 0.02533 Wat4 0.25000 0.46140 0.51700 0.01773 Wat5 0.25000 0.48820 0.03800 0.02533 Wat6 0.25000 0.06590 0.58400 0.03673 Wat7 0.05400 0.48150 0.76300 0.02533