data_Conf9.cif _audit_creation_method 'generated by CrystalMaker 6.3.7' _cell_length_a 9.6007 _cell_length_b 10.2930 _cell_length_c 12.0497 _cell_angle_alpha 90.0000 _cell_angle_beta 90.0000 _cell_angle_gamma 90.0000 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 _symmetry_cell_setting triclinic loop_ _symmetry_equiv_pos_as_xyz ' +x +y +z ' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z H 112 0.2136 0.1465 0.0422 H 113 0.2070 0.9872 0.1232 H 114 0.3078 0.1280 0.1785 H 115 0.0332 0.2164 0.2864 Mg 1 0.0046 0.0012 0.0002 Mg 2 0.2493 0.4973 -0.0015 Mg 3 0.0039 -0.0043 0.2460 Mg 4 0.2488 0.4966 0.2496 Mg 5 0.4973 0.2766 0.1233 Mg 6 0.7458 0.2223 0.3754 Mg 7 -0.4960 -0.2774 0.3742 Mg 8 -0.2460 0.7764 0.1239 Mg 28 0.4958 0.0016 0.0016 Mg 29 0.7497 0.4995 -0.0013 Mg 30 0.5021 -0.0016 0.2502 Mg 31 0.7499 0.4989 0.2489 Mg 32 0.0030 0.2699 0.1137 Mg 33 0.2485 0.2229 0.3812 Mg 34 0.0040 -0.2769 0.3739 Mg 35 0.2536 0.7680 0.1244 Mg 56 0.0001 -0.0008 0.4983 Mg 57 0.2502 0.5017 0.4998 Mg 58 -0.0011 -0.0006 0.7497 Mg 59 0.2495 0.5024 0.7492 Mg 60 0.4965 0.2761 0.6245 Mg 61 0.7455 0.2227 0.8747 Mg 62 -0.4961 -0.2758 0.8748 Mg 63 -0.2459 0.7768 0.6247 Mg 84 0.4998 -0.0015 0.4998 Mg 85 0.7481 0.5006 0.4997 Mg 86 0.5000 -0.0002 0.7506 Mg 87 0.7492 0.5001 0.7490 Mg 88 0.9958 0.2764 0.6245 Mg 89 0.2443 0.2260 0.8664 Mg 90 0.0031 -0.2766 0.8749 Mg 91 0.2534 0.7769 0.6247 O 12 0.3838 0.0968 0.1305 O 13 0.6343 0.4072 0.3740 O 14 -0.3844 -0.0925 0.3746 O 15 -0.1347 0.5890 0.1241 O 16 0.1117 0.4416 0.1236 O 17 0.3607 0.0533 0.3736 O 18 -0.1142 -0.4445 0.3744 O 19 0.1270 0.9271 0.1236 O 20 0.1274 0.1678 0.0013 O 21 0.3872 0.3363 -0.0176 O 22 -0.1387 -0.1643 0.2649 O 23 0.1112 0.6575 0.2338 O 24 -0.1386 -0.1638 -0.0163 O 25 0.1116 0.6581 0.0144 O 26 0.1133 0.1675 0.2552 O 27 0.3869 0.3346 0.2659 O 40 0.8845 0.0911 0.1228 O 41 0.1336 0.4112 0.3772 O 42 0.1157 -0.0948 0.3746 O 43 0.3654 0.5887 0.1244 O 44 0.6114 0.4448 0.1244 O 45 0.8613 0.0534 0.3739 O 46 0.3889 -0.4469 0.3739 O 47 0.6373 0.9458 0.1244 O 48 0.6363 0.1628 0.0160 O 49 0.8869 0.3372 -0.0185 O 50 0.3615 -0.1642 0.2643 O 51 0.6115 0.6619 0.2336 O 52 0.3604 -0.1617 -0.0148 O 53 0.6111 0.6622 0.0154 O 54 0.6408 0.1628 0.2344 O 55 0.8925 0.3351 0.2675 O 68 0.3839 0.0910 0.6247 O 69 0.6338 0.4078 0.8739 O 70 -0.3853 -0.0909 0.8758 O 71 -0.1351 0.5918 0.6242 O 72 0.1112 0.4460 0.6246 O 73 0.3597 0.0552 0.8752 O 74 -0.1127 -0.4457 0.8734 O 75 0.1382 0.9449 0.6243 O 76 0.1375 0.1625 0.5161 O 77 0.3883 0.3366 0.4840 O 78 -0.1395 -0.1625 0.7656 O 79 0.1111 0.6637 0.7333 O 80 -0.1385 -0.1633 0.4835 O 81 0.1111 0.6628 0.5151 O 82 0.1364 0.1625 0.7322 O 83 0.3874 0.3376 0.7642 O 96 0.8841 0.0909 0.6241 O 97 0.1334 0.4103 0.8718 O 98 0.1150 -0.0929 0.8735 O 99 0.3650 0.5926 0.6244 O 100 0.6102 0.4459 0.6244 O 101 0.8610 0.0543 0.8749 O 102 0.3886 -0.4457 0.8743 O 103 0.6379 0.9452 0.6249 O 104 0.6376 0.1622 0.5156 O 105 0.8871 0.3388 0.4852 O 106 0.3618 -0.1626 0.7662 O 107 0.6113 0.6630 0.7338 O 108 0.3620 -0.1635 0.4832 O 109 0.6111 0.6628 0.5153 O 110 0.6377 0.1626 0.7337 O 111 0.8871 0.3372 0.7637 Si 9 0.4636 0.4056 0.3742 Si 10 -0.2134 -0.0938 0.3740 Si 11 0.0361 0.5893 0.1238 Si 36 0.7140 0.0930 0.1245 Si 37 0.9629 0.4098 0.3770 Si 38 0.2862 -0.0948 0.3736 Si 39 0.5362 0.5923 0.1245 Si 64 0.2132 0.0921 0.6245 Si 65 0.4632 0.4065 0.8739 Si 66 -0.2142 -0.0929 0.8754 Si 67 0.0357 0.5934 0.6244 Si 92 0.7135 0.0925 0.6247 Si 93 0.9627 0.4069 0.8725 Si 94 0.2855 -0.0929 0.8751 Si 95 0.5358 0.5938 0.6247