data_global _chemical_name_mineral 'Shimazakiite' loop_ _publ_author_name 'Kusachi I' 'Kobayashi S' 'Takechi Y' 'Nakamuta Y' 'Nagase T' 'Yokoyama K' 'Momma K' 'Miyawaki R' 'Shigeoka M' 'Matsubara S' _journal_name_full 'Mineralogical Magazine' _journal_volume 77 _journal_year 2013 _journal_page_first 93 _journal_page_last 105 _publ_section_title ; Shimazakiite-4M and shimazakiite-4O, Ca2B2O5, two polytypes of a new mineral from Fuka, Okayama Prefecture, Japan Note: polytype Shimazakiite-4O ; _database_code_amcsd 0019799 _chemical_compound_source 'Fuka, Okayama Prefecture, Japan' _chemical_formula_sum 'Ca2 B2 O5' _cell_length_a 3.55645 _cell_length_b 6.35194 _cell_length_c 19.2534 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 434.941 _exptl_crystal_density_diffrn 2.776 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca1 0.29761 0.20104 0.21051 0.00757 Ca2 0.79738 0.44688 0.06152 0.00791 B1 0.18630 0.71810 0.15670 0.00790 B2 0.14260 0.50330 0.41790 0.00740 O1 0.79860 0.05583 0.01528 0.00940 O2 0.79500 0.14306 0.13453 0.00910 O3 0.31570 0.51855 0.14809 0.01050 O4 0.00370 0.80046 0.09633 0.01140 O5 0.20790 0.82822 0.21757 0.00970 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 Ca1 0.00820 0.00720 0.00734 -0.00008 0.00001 -0.00052 Ca2 0.00780 0.00880 0.00720 0.00011 0.00014 -0.00019 B1 0.00610 0.00900 0.00840 -0.00110 -0.00060 0.00260 B2 0.00700 0.00510 0.01010 0.00120 -0.00060 -0.00070 O1 0.01040 0.01060 0.00710 0.00110 -0.00020 0.00170 O2 0.00930 0.00980 0.00820 0.00210 -0.00110 -0.00400 O3 0.01170 0.00930 0.01050 0.00300 0.00140 0.00190 O4 0.01980 0.00710 0.00720 0.00360 -0.00300 -0.00070 O5 0.01230 0.00910 0.00780 -0.00120 -0.00040 0.00020