data_global _chemical_name_mineral 'Meyerhofferite' loop_ _publ_author_name 'Burns P C' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 31 _journal_year 1993 _journal_page_first 305 _journal_page_last 312 _publ_section_title ; Hydrogen bonding in meyerhofferite: An X-ray and structure energy study from Mount Blanco, Death Valley, California ; _database_code_amcsd 0005296 _chemical_compound_source 'Mount Blanco, Death Valley, California, USA' _chemical_formula_sum 'Ca B3 O9 H7' _cell_length_a 6.632 _cell_length_b 8.337 _cell_length_c 6.4748 _cell_angle_alpha 90.81 _cell_angle_beta 101.97 _cell_angle_gamma 86.76 _cell_volume 349.653 _exptl_crystal_density_diffrn 2.123 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Ca 0.01073 0.37602 0.24440 0.01060 B1 0.31680 0.79740 0.48550 0.01120 B2 0.28790 0.63230 0.16540 0.00960 B3 0.03930 0.26520 0.69920 0.00940 O1 0.40420 0.73580 0.32740 0.01370 O-h2 0.42240 0.88740 0.64830 0.01550 O3 0.11500 0.77760 0.49250 0.01250 O-h4 0.33630 0.46170 0.20590 0.01490 O5 0.06170 0.65190 0.14810 0.00990 O-h6 0.16940 0.37990 0.61860 0.01190 OW7 0.15210 0.10710 0.21120 0.01610 O-h8 0.15400 0.12230 0.79890 0.01520 O-h9 0.33150 0.67110 0.95640 0.01290 H1 0.56300 0.90100 0.64200 0.02000 H2 0.45300 0.42900 0.14800 0.02000 H3 0.31300 0.35200 0.64200 0.02000 H4 0.25300 0.06500 0.73300 0.02000 H5 0.37300 0.77900 0.95100 0.02000 H6 0.05200 0.03200 0.22700 0.02000 H7 0.16400 0.10400 0.06600 0.02000 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 0.01180 0.01130 0.00910 -0.00130 0.00270 0.00030 B1 0.01140 0.01210 0.01000 -0.00240 0.00160 -0.00110 B2 0.00810 0.01190 0.00960 -0.00030 0.00350 -0.00020 B3 0.00840 0.01090 0.00930 -0.00030 0.00300 -0.00020 O1 0.00950 0.01830 0.01350 -0.00280 0.00300 -0.00490 O-h2 0.01170 0.01910 0.01590 -0.00510 0.00250 -0.00500 O3 0.00970 0.01860 0.00980 -0.00430 0.00290 -0.00300 O-h4 0.01260 0.01240 0.02140 0.00280 0.00820 0.00210 O5 0.00730 0.01290 0.00960 0.00030 0.00250 -0.00200 O-h6 0.00880 0.01510 0.01270 -0.00280 0.00370 0.00080 OW7 0.01740 0.01530 0.01570 -0.00050 0.00360 -0.00050 O-h8 0.01680 0.01450 0.01510 0.00610 0.00690 0.00240 O-h9 0.01240 0.01600 0.01170 -0.00150 0.00530 0.00050