data_global _chemical_name_mineral 'Waterhouseite' loop_ _publ_author_name 'Pring A' 'Kolitsch U' 'Birch W D' _journal_name_full 'The Canadian Mineralogist' _journal_volume 43 _journal_year 2005 _journal_page_first 1401 _journal_page_last 1410 _publ_section_title ; Description and unique crystal-structure of waterhouseite, a new hydroxy manganese phosphate species from the Iron Monarch deposit, Middleback Ranges, South Australia ; _database_code_amcsd 0006050 _chemical_compound_source 'Iron Monarch mine, Iron Knob, South Australia' _chemical_formula_sum 'Mn7 P2 O16 H8' _cell_length_a 11.364 _cell_length_b 5.570 _cell_length_c 10.455 _cell_angle_alpha 90 _cell_angle_beta 96.61 _cell_angle_gamma 90 _cell_volume 657.376 _exptl_crystal_density_diffrn 3.590 _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 Mn1 0.50000 0.00000 0.50000 0.01210 Mn2 0.04797 0.53843 0.36737 0.01470 Mn3 0.18562 0.51473 0.10420 0.01320 Mn4 0.42873 0.00344 0.14595 0.01330 P 0.27486 0.30480 0.35133 0.00990 O1 0.28190 0.18830 0.21860 0.01560 O2 0.17960 0.18450 0.42560 0.01770 O3 0.39860 0.31470 0.43440 0.01560 O4 0.23260 0.56960 0.32150 0.01570 O-H5 0.34320 0.69540 0.05690 0.01440 O-H6 0.54010 0.30390 0.18000 0.01520 O-H7 0.02060 0.39250 0.17180 0.01540 O-H8 0.10190 0.63460 0.56820 0.01580 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 Mn1 0.01260 0.01140 0.01240 0.00040 0.00180 -0.00020 Mn2 0.01430 0.01610 0.01430 -0.00140 0.00370 -0.00160 Mn3 0.01300 0.01370 0.01300 -0.00040 0.00190 0.00060 Mn4 0.01530 0.01150 0.01320 -0.00120 0.00180 -0.00020 P 0.00820 0.01140 0.01000 0.00100 0.00020 0.00000 O1 0.01200 0.01900 0.01500 0.00190 0.00050 -0.00080 O2 0.01900 0.01900 0.01500 0.00070 0.00130 0.00260 O3 0.01300 0.01700 0.01600 -0.00070 -0.00070 0.00290 O4 0.01800 0.01400 0.01500 0.00260 0.00220 -0.00160 O-H5 0.01400 0.01450 0.01400 -0.00130 0.00280 0.00050 O-H6 0.01700 0.01420 0.01400 -0.00300 -0.00160 -0.00300 O-H7 0.01500 0.01500 0.01700 -0.00250 0.00340 0.00270 O-H8 0.01400 0.01800 0.01600 0.00000 0.00140 -0.00230