data_global _chemical_name_mineral 'Carboborite' loop_ _publ_author_name 'Zhesheng M' 'Nicheng S' 'Jinchuan S' 'Zhizhong P' _journal_name_full 'Bulletin de Mineralogie' _journal_volume 104 _journal_year 1981 _journal_page_first 578 _journal_page_last 581 _publ_section_title ; The refinement of the crystal structure of carboborite MgCa2[CO3]2[B(OH)4]2*4H2O ; _database_code_amcsd 0012074 _chemical_formula_sum 'Mg Ca2 C2 B2 O18 H16' _cell_length_a 11.011 _cell_length_b 6.674 _cell_length_c 10.692 _cell_angle_alpha 90 _cell_angle_beta 116.64 _cell_angle_gamma 90 _cell_volume 702.316 _exptl_crystal_density_diffrn 2.148 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mg 0.50000 0.00000 0.00000 Ca 0.29850 0.99870 0.23910 C 0.27640 0.26540 0.02350 B 0.50800 -0.29430 0.24640 O1 0.20520 0.28600 0.09040 O2 0.34370 0.10080 0.04300 O3 0.41210 0.29750 0.38380 O4 0.27770 0.40250 -0.05890 O5 0.54770 -0.22320 0.14140 O6 0.57760 -0.48270 0.30930 O7 0.52780 -0.13620 0.34970 O8 0.63700 0.19340 0.15190 O9 0.35930 -0.33070 0.18160 H1 0.11600 0.19100 0.63100 H2 0.17300 0.12000 0.40700 H3 0.35800 0.46600 0.62400 H4 0.42800 0.30500 0.88700 H5 0.40100 0.06700 0.61500 H6 0.46000 0.26700 0.47100 H7 0.16800 0.35200 0.72400 H8 0.47700 0.35000 0.37900 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 Mg 0.00270 0.00620 0.00280 0.00000 0.00200 0.00000 Ca 0.00260 0.00430 0.00250 0.00020 0.00180 0.00030 C 0.00170 0.00430 0.00130 0.00020 0.00110 -0.00020 B 0.00390 0.00840 0.00440 0.00030 0.00250 0.00080 O1 0.00390 0.00760 0.00330 0.00060 0.00270 -0.00020 O2 0.00440 0.00790 0.00470 0.00180 0.00380 0.00160 O3 0.00340 0.00940 0.00370 -0.00060 0.00150 0.00040 O4 0.00650 0.00850 0.00510 0.00220 0.00440 0.00210 O5 0.00430 0.00870 0.00420 0.00170 0.00340 0.00170 O6 0.00350 0.00740 0.00520 0.00110 0.00220 0.00210 O7 0.00320 0.00870 0.00360 -0.00120 0.00210 -0.00100 O8 0.00610 0.01050 0.00520 0.00030 0.00120 0.00130 O9 0.00270 0.00730 0.00340 0.00040 0.00200 0.00060