data_global _chemical_name_mineral 'Henmilite' loop_ _publ_author_name 'Nakai I' 'Okada H' 'Masutomi K' 'Koyama E' 'Nagashima K' _journal_name_full 'American Mineralogist' _journal_volume 71 _journal_year 1986 _journal_page_first 1236 _journal_page_last 1239 _publ_section_title ; Henmilite, Ca2Cu(OH)4[B(OH)4]2, a new mineral from Fuka, Okayama Prefecture, Japan. II. Crystal structure ; _database_code_amcsd 0001050 _chemical_formula_sum 'Ca2 Cu B2 O12 H12' _cell_length_a 5.7617 _cell_length_b 7.9774 _cell_length_c 5.6488 _cell_angle_alpha 109.611 _cell_angle_beta 91.473 _cell_angle_gamma 83.686 _cell_volume 243.076 _exptl_crystal_density_diffrn 2.524 _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 0.50791 0.24095 0.22595 ? Cu 0.00000 0.00000 0.00000 ? B 0.27900 0.40680 0.74800 ? O1 0.30610 -0.01920 0.14550 ? O2 0.84040 0.06840 0.32390 ? O3 0.24670 0.29070 0.89720 ? O4 0.15230 0.35380 0.51060 ? O5 0.78790 0.40550 0.09780 ? O6 0.52610 0.39830 0.67420 ? H1 0.70500 0.04000 0.73500 0.00633 H2 0.92300 0.06500 0.42700 0.02533 H3 0.22600 0.19400 0.82800 0.04306 H4 0.04300 0.41800 0.52600 0.02533 H5 0.90400 0.38500 0.05800 0.02533 H6 0.61900 0.38700 0.76800 0.01900 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 0.00962 0.00936 0.01071 -0.00082 0.00012 0.00268 Cu 0.00977 0.01035 0.01338 -0.00111 0.00145 0.00340 B 0.00980 0.00961 0.01061 -0.00087 -0.00015 0.00383 O1 0.01113 0.01159 0.01549 -0.00195 0.00062 0.00322 O2 0.01346 0.01668 0.01463 0.00152 0.00154 0.00564 O3 0.01611 0.01075 0.01492 -0.00108 0.00093 0.00665 O4 0.01395 0.01555 0.01291 -0.00217 -0.00417 0.00161 O5 0.01329 0.00820 0.01420 -0.00108 0.00062 0.00181 O6 0.00997 0.01951 0.01176 -0.00130 0.00015 0.00544