data_global _chemical_name_mineral 'Blatterite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 36 _journal_year 1998 _journal_page_first 1171 _journal_page_last 1193 _publ_section_title ; The crystal structure of blatterite, Sb3(Mn,Fe)9(Mn,Mg)35(BO3)16O32, and structural hierarchy in Mn-bearing zigzag borates ; _database_code_amcsd 0005563 _chemical_formula_sum 'Sb3 Mn41.28 Al.28 Mg10.44 B16 O80' _cell_length_a 37.654 _cell_length_b 12.615 _cell_length_c 6.2472 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2967.452 _exptl_crystal_density_diffrn 4.865 _symmetry_space_group_name_H-M 'P n n m' 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' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '-x,-y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Sb1 0.00000 0.00000 0.00000 1.00000 0.00600 Sb2 0.37486 0.28738 0.50000 1.00000 0.00660 Mn1 0.00000 0.50000 0.00000 0.90000 0.00610 Al1 0.00000 0.50000 0.00000 0.10000 0.00610 Mn2 0.25239 0.06450 0.00000 1.00000 0.00690 Mn3 0.06329 0.39520 0.00000 0.91000 0.00690 Al3 0.06329 0.39520 0.00000 0.09000 0.00690 Mn4 0.18948 0.18320 0.00000 1.00000 0.00740 Mn5 0.12551 0.28530 0.00000 1.00000 0.00680 MnM1 0.25299 0.06460 0.50000 1.00000 0.01030 MnM2 0.50000 0.50000 0.00000 0.52000 0.00870 MgM2 0.50000 0.50000 0.00000 0.48000 0.00870 MnM3 0.37460 0.28750 0.00000 0.62000 0.00790 MgM3 0.37460 0.28750 0.00000 0.38000 0.00790 MnM4 0.18903 0.40590 0.25130 0.69000 0.00840 MgM4 0.18903 0.40590 0.25130 0.31000 0.00840 MnM5 0.06157 0.17240 0.24990 0.52000 0.00800 MgM5 0.06157 0.17240 0.24990 0.48000 0.00800 MnM6 0.31388 0.45980 0.25350 0.50000 0.00890 MgM6 0.31388 0.45980 0.25350 0.50000 0.00890 MnM7 0.43639 0.11590 0.24780 0.58000 0.00840 MgM7 0.43639 0.11590 0.24780 0.42000 0.00840 MnM8 0.31042 0.18270 0.24380 0.41000 0.00760 MgM8 0.31042 0.18270 0.24380 0.59000 0.00760 MnM9 0.43673 0.39590 0.24130 0.21000 0.00760 MnM9 0.43673 0.39590 0.24130 0.79000 0.00760 MnX1 0.18740 0.17990 0.50000 1.00000 0.00980 MnX2 0.17800 0.18700 0.50000 1.00000 0.00980 MnX3 0.12070 0.30190 0.50000 1.00000 0.01900 MnX4 0.02740 0.40860 0.50000 1.00000 0.02680 MnX5 0.05260 0.39940 0.50000 1.00000 0.02940 MnX6 0.10360 0.36600 0.50000 1.00000 0.03530 MnX7 0.00920 0.46900 0.50000 1.00000 0.03720 B1 0.49140 0.25680 0.00000 1.00000 0.00690 B2 0.49280 0.25660 0.50000 1.00000 0.00690 B3 0.36770 0.04400 0.50000 1.00000 0.00690 B4 0.36820 0.04260 0.00000 1.00000 0.00690 B5 0.25870 0.32950 0.00000 1.00000 0.00690 B6 0.25590 0.32020 0.50000 1.00000 0.00690 B7 0.11810 0.03130 0.00000 1.00000 0.00690 B8 0.11720 0.03970 0.50000 1.00000 0.00690 O1 0.27640 0.23450 0.00000 1.00000 0.01360 O2 0.27480 0.22740 0.50000 1.00000 0.00860 O3 0.35080 -0.05290 0.00000 1.00000 0.01300 O4 0.34840 -0.04810 0.50000 1.00000 0.00860 O5 0.09890 0.13370 0.50000 1.00000 0.00980 O6 0.09870 0.12330 0.00000 1.00000 0.01090 O7 0.21950 0.32120 0.50000 1.00000 0.00710 O8 0.22240 0.33420 0.00000 1.00000 0.00950 O9 0.09860 -0.05380 0.50000 1.00000 0.00810 O10 0.10030 -0.06350 0.00000 1.00000 0.00840 O11 0.52780 0.25870 0.00000 1.00000 0.01010 O12 0.52920 0.25550 0.50000 1.00000 0.00960 O13 0.15440 0.03120 0.00000 1.00000 0.01010 O14 0.15350 0.03770 0.50000 1.00000 0.00950 O15 0.40460 0.04450 0.00000 1.00000 0.01190 O16 0.40410 0.04460 0.50000 1.00000 0.01060 O17 0.34150 0.32130 0.26900 1.00000 0.00530 O18 0.40890 0.25700 0.26900 1.00000 0.00580 O19 0.27470 0.41320 0.50000 1.00000 0.01010 O20 0.27840 0.42090 0.00000 1.00000 0.00810 O21 0.16060 0.25490 0.21800 1.00000 0.00880 O22 0.34980 0.13630 0.00000 1.00000 0.00920 O23 0.35030 0.13930 0.50000 1.00000 0.01000 O24 0.09000 0.32030 0.21200 1.00000 0.00890 O25 0.28430 0.04220 0.23000 1.00000 0.00700 O26 0.03520 0.46790 0.20900 1.00000 0.00870 O27 0.47240 0.34930 0.00000 1.00000 0.00860 O28 0.47550 0.35220 0.50000 1.00000 0.00770 O29 0.03360 0.03290 0.23100 1.00000 0.00770 O30 0.21470 0.10660 0.21900 1.00000 0.00880 O31 0.47350 0.16450 0.50000 1.00000 0.00940 O32 0.47420 0.16110 0.00000 1.00000 0.01390 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 Sb1 0.00630 0.00550 0.00620 0.00120 0.00000 0.00000 Sb2 0.00660 0.00560 0.00750 -0.00040 0.00000 0.00000 Mn1 0.00540 0.00620 0.00660 0.00050 0.00000 0.00000 Al1 0.00540 0.00620 0.00660 0.00050 0.00000 0.00000 Mn2 0.00550 0.00860 0.00670 -0.00030 0.00000 0.00000 Mn3 0.00760 0.00500 0.00810 0.00120 0.00000 0.00000 Al3 0.00760 0.00500 0.00810 0.00120 0.00000 0.00000 Mn4 0.00890 0.00640 0.00700 0.00160 0.00000 0.00000 Mn5 0.00430 0.00860 0.00770 0.00220 0.00000 0.00000 MnM1 0.01140 0.01060 0.00890 -0.00380 0.00000 0.00000 MnM2 0.00880 0.00950 0.00770 -0.00100 0.00000 0.00000 MgM2 0.00880 0.00950 0.00770 -0.00100 0.00000 0.00000 MnM3 0.00700 0.00920 0.00740 -0.00240 0.00000 0.00000 MgM3 0.00700 0.00920 0.00740 -0.00240 0.00000 0.00000 MnM4 0.01010 0.00620 0.00890 -0.00100 -0.00040 0.00070 MgM4 0.01010 0.00620 0.00890 -0.00100 -0.00040 0.00070 MnM5 0.00790 0.00640 0.00980 -0.00090 -0.00060 -0.00030 MgM5 0.00790 0.00640 0.00980 -0.00090 -0.00060 -0.00030 MnM6 0.01000 0.00750 0.00910 0.00080 -0.00050 -0.00080 MgM6 0.01000 0.00750 0.00910 0.00080 -0.00050 -0.00080 MnM7 0.00840 0.00740 0.00960 0.00160 0.00050 0.00080 MgM7 0.00840 0.00740 0.00960 0.00160 0.00050 0.00080 MnM8 0.00660 0.00770 0.00850 -0.00080 0.00030 0.00010 MgM8 0.00660 0.00770 0.00850 -0.00080 0.00030 0.00010 MnM9 0.00800 0.00640 0.00840 -0.00120 -0.00070 -0.00030 MnM9 0.00800 0.00640 0.00840 -0.00120 -0.00070 -0.00030 MnX1 0.01380 0.00610 0.00940 -0.00210 0.00000 0.00000 MnX2 0.01380 0.00610 0.00940 -0.00210 0.00000 0.00000 MnX3 0.02250 0.02750 0.00700 -0.01970 0.00000 0.00000 MnX4 0.05330 0.02030 0.00690 -0.01860 0.00000 0.00000 MnX5 0.07080 0.00870 0.00860 0.00150 0.00000 0.00000 MnX6 0.05400 0.04980 0.00210 -0.04890 0.00000 0.00000 MnX7 0.02730 0.07680 0.00740 -0.04550 0.00000 0.00000