data_global _chemical_name_mineral 'Chambersite' loop_ _publ_author_name 'Kubel F' 'Crottaz O' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 211 _journal_year 1996 _journal_page_first 924 _journal_page_last 924 _publ_section_title ; Crystal structure of manganese chlorine boracite, Mn3B7O13Cl ; _database_code_amcsd 0011067 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mn3 B7 O13 Cl' _cell_length_a 8.678 _cell_length_b 8.688 _cell_length_c 12.290 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 926.598 _exptl_crystal_density_diffrn 3.469 _symmetry_space_group_name_H-M 'P c a 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,z' '1/2-x,y,1/2+z' '-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 Mn1 0.76170 0.25200 0.22110 ? Mn2 0.48230 0.53330 0.49940 ? Mn3 -0.01620 0.03340 0.50280 ? B1 0.50300 0.49600 0.24900 0.01000 B2 0.25610 0.24900 0.49580 0.00900 B3 0.00200 -0.00500 0.24950 0.00900 B4 0.45610 0.24900 0.35060 0.01000 B5 0.24740 0.40100 0.16900 0.00800 B6 0.90450 0.75100 0.82090 0.01000 B7 0.75280 0.90200 0.66900 0.00700 O1 0.22830 0.25000 0.23600 0.00900 O2 0.54010 0.33170 0.27580 0.00900 O3 0.38270 0.32410 0.43430 0.00900 O4 0.97170 0.15990 0.27440 0.00900 O5 0.31710 0.36290 0.06530 0.00800 O6 0.16570 0.97500 0.22540 0.00900 O7 0.14320 0.18100 0.42220 0.01000 O8 0.33900 0.51360 0.22750 0.00900 O9 0.17650 0.12430 0.06390 0.01000 O10 0.95150 0.59330 0.83950 0.00900 O11 0.53470 0.90880 0.85130 0.00700 O12 0.90810 0.53650 0.65280 0.00800 O13 0.58970 0.94290 0.65880 0.00800 Cl 0.76910 0.25040 0.50870 ? 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 Mn1 0.00770 0.00810 0.01590 0.00040 0.00150 0.00000 Mn2 0.01370 0.01290 0.00830 -0.00450 -0.00010 -0.00030 Mn3 0.01530 0.01260 0.00740 0.00420 -0.00020 -0.00010 Cl 0.01640 0.01510 0.01600 0.00000 0.00140 0.00200