data_global _chemical_name_mineral 'Phosphophyllite' loop_ _publ_author_name 'Hill R J' _journal_name_full 'American Mineralogist' _journal_volume 62 _journal_year 1977 _journal_page_first 812 _journal_page_last 817 _publ_section_title ; The crystal structure of phosphophyllite ; _database_code_amcsd 0000588 _chemical_compound_source 'Potosi, Bolivia' _chemical_formula_sum 'Fe Zn2 P2 O12 H8' _cell_length_a 10.378 _cell_length_b 5.084 _cell_length_c 10.553 _cell_angle_alpha 90 _cell_angle_beta 121.14 _cell_angle_gamma 90 _cell_volume 476.564 _exptl_crystal_density_diffrn 3.126 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+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_U_iso_or_equiv Fe 0.00000 0.00000 0.00000 ? Zn 0.50024 0.31002 0.35646 ? P 0.68924 0.28707 0.19476 ? O1 -0.00460 0.29580 0.13920 ? O2 0.18030 0.28970 0.50300 ? O3 0.85420 0.25820 0.31580 ? O4 0.35260 0.07280 0.34200 ? O5 0.66170 0.13230 0.05820 ? O6 0.58600 0.15270 0.24450 ? H1 -0.03000 0.27600 0.19500 0.02533 H2 0.05400 0.40300 0.17700 0.05573 H3 0.23100 0.35800 0.49100 0.10132 H4 0.21900 0.15400 0.54700 0.12665 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 Fe 0.01143 0.00902 0.01033 0.00117 0.00565 0.00109 Zn 0.01283 0.00732 0.01029 -0.00071 0.00707 -0.00009 P 0.00731 0.00626 0.00901 0.00016 0.00451 -0.00065 O1 0.02998 0.01702 0.02439 -0.00801 0.01992 -0.00814 O2 0.02039 0.01899 0.03224 -0.00069 0.01829 -0.00186 O3 0.00879 0.01113 0.01364 0.00092 0.00203 -0.00256 O4 0.01639 0.00877 0.02563 -0.00389 0.01301 -0.00372 O5 0.01399 0.01467 0.00868 0.00389 0.00488 -0.00163 O6 0.01759 0.01034 0.01777 -0.00435 0.01382 -0.00395