data_global _chemical_name_mineral 'Hydroxylherderite' loop_ _publ_author_name 'Harlow G E' 'Hawthorne F C' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1545 _journal_page_last 1549 _publ_section_title ; Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from Ehrenfriedersdorf, Germany Note: 20517 Note: Occupancies derived from electron-microprobe analysis ; _database_code_amcsd 0004661 _chemical_compound_source 'Sauberg mine, Morgenrother Zug, Ehrenfriedersdorf, Germany' _chemical_formula_sum 'Ca Be P O4.52 (F.48 H.52)' _cell_length_a 9.7615 _cell_length_b 7.6680 _cell_length_c 4.7853 _cell_angle_alpha 90 _cell_angle_beta 90.184 _cell_angle_gamma 90 _cell_volume 358.184 _exptl_crystal_density_diffrn 3.005 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+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 Ca 0.33054 0.11215 0.99672 1.00000 0.00938 Be 0.33905 0.41430 0.53640 1.00000 0.00900 P 0.08141 0.27112 0.47175 1.00000 0.00671 O1 0.03997 0.39849 0.24550 1.00000 0.00957 O2 0.45738 0.28281 0.65139 1.00000 0.00917 O3 0.19302 0.34533 0.67079 1.00000 0.00936 O4 0.14412 0.10715 0.33320 1.00000 0.00978 FO5 0.33181 0.41132 0.20637 0.48000 0.01190 O-HO5 0.33181 0.41132 0.20637 0.52000 0.01190 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 Ca 0.00899 0.00969 0.00946 -0.00064 0.00065 -0.00093 Be 0.00780 0.00990 0.00930 0.00030 0.00020 0.00090 P 0.00598 0.00669 0.00747 -0.00018 0.00013 0.00001 O1 0.00940 0.00890 0.01040 0.00060 -0.00070 0.00240 O2 0.00710 0.01040 0.01010 0.00200 0.00170 0.00150 O3 0.00650 0.01200 0.00960 -0.00220 0.00060 -0.00100 O4 0.01130 0.00690 0.01120 0.00110 0.00300 -0.00030 FO5 0.01250 0.01380 0.00940 0.00120 -0.00130 -0.00070 O-HO5 0.01250 0.01380 0.00940 0.00120 -0.00130 -0.00070