data_global _chemical_name_mineral 'Herderite' 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: 108370 ; _database_code_amcsd 0004659 _chemical_compound_source 'Mogok Stone Tract, Myanmar' _chemical_formula_sum 'Ca Be P O4.224 (F.776 H.224)' _cell_length_a 9.7446 _cell_length_b 7.6769 _cell_length_c 4.7633 _cell_angle_alpha 90 _cell_angle_beta 90.667 _cell_angle_gamma 90 _cell_volume 356.310 _exptl_crystal_density_diffrn 3.031 _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 0.33014 0.11216 0.99591 1.00000 0.00986 Be 0.33895 0.41410 0.53970 1.00000 0.00910 P 0.08160 0.27075 0.47351 1.00000 0.00687 O1 0.04005 0.39814 0.24585 1.00000 0.00978 O2 0.45729 0.28281 0.65111 1.00000 0.00954 O3 0.19339 0.34517 0.67592 1.00000 0.00944 O4 0.14551 0.10755 0.33633 1.00000 0.01034 FO5 0.32911 0.40918 0.21090 0.77600 0.01220 O-HO5 0.32911 0.40918 0.21090 0.22400 0.01220 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 0.00938 0.01037 0.00985 -0.00046 0.00069 -0.00072 Be 0.00870 0.00950 0.00900 0.00060 0.00030 0.00040 P 0.00602 0.00686 0.00773 -0.00013 0.00021 -0.00007 O1 0.00980 0.00900 0.01050 0.00040 -0.00090 0.00220 O2 0.00740 0.01060 0.01070 0.00220 0.00210 0.00130 O3 0.00660 0.01240 0.00930 -0.00230 -0.00050 -0.00070 O4 0.01190 0.00730 0.01190 0.00130 0.00320 -0.00030 FO5 0.01260 0.01510 0.00900 0.00120 -0.00120 -0.00040 O-HO5 0.01260 0.01510 0.00900 0.00120 -0.00120 -0.00040