data_global _chemical_name_mineral 'Hureaulite' loop_ _publ_author_name 'Moore P B' 'Araki T' _journal_name_full 'American Mineralogist' _journal_volume 58 _journal_year 1973 _journal_page_first 302 _journal_page_last 307 _publ_section_title ; Hureaulite, Mn5(H2O)4[PO3(OH)]2[PO4]2: Its atomic arrangement ; _database_code_amcsd 0000314 _chemical_formula_sum 'Mn5 P4 O20 H6' _cell_length_a 17.594 _cell_length_b 9.086 _cell_length_c 9.404 _cell_angle_alpha 90 _cell_angle_beta 96.67 _cell_angle_gamma 90 _cell_volume 1493.140 _exptl_crystal_density_diffrn 3.223 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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_U_iso_or_equiv Mn1 0.00000 0.10238 0.75000 0.00874 Mn2 0.31696 0.08821 -0.31470 0.00849 Mn3 0.17453 -0.02833 -0.13408 0.00937 P1 0.41723 0.32038 -0.09009 0.00836 P2 0.16098 0.26066 -0.37176 0.00760 O1 0.34550 0.22780 -0.13380 0.01431 O-H2 0.48840 0.21500 -0.07960 0.01570 O3 0.42310 0.43310 -0.20720 0.01406 O4 0.41560 0.39150 0.05580 0.01330 O5 0.16380 0.23570 -0.53310 0.01267 O6 0.07600 0.26550 -0.34070 0.01216 O7 0.20190 0.40400 -0.32570 0.01279 O8 0.20240 0.13260 -0.28850 0.01178 O-H9 0.42130 -0.00810 -0.34630 0.02153 O-H10 0.25990 0.07960 0.03100 0.01381