data_Conf4.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 0.2175 0.1459 0.2081 H 113 0.1921 0.1681 0.0583 H 114 0.2095 0.9873 0.1280 H 115 0.3455 0.1053 0.0442 Mg 1 0.0051 0.0023 0.0024 Mg 2 0.2495 0.4969 -0.0003 Mg 3 0.0056 0.0032 0.2485 Mg 4 0.2494 0.4968 0.2504 Mg 5 0.4972 0.2763 0.1265 Mg 6 0.7464 0.2230 0.3748 Mg 7 -0.4956 -0.2764 0.3747 Mg 8 -0.2423 0.7748 0.1258 Mg 28 0.5127 -0.0122 -0.0008 Mg 29 0.7500 0.4992 -0.0003 Mg 30 0.4984 -0.0010 0.2479 Mg 31 0.7501 0.4993 0.2501 Mg 32 0.9957 0.2731 0.1257 Mg 33 0.2440 0.2265 0.3821 Mg 34 0.0038 -0.2764 0.3741 Mg 35 0.2534 0.7680 0.1256 Mg 56 -0.0008 -0.0004 0.4994 Mg 57 0.2498 0.5024 0.5001 Mg 58 0.0011 -0.0012 0.7503 Mg 59 0.2501 0.5016 0.7498 Mg 60 0.4967 0.2760 0.6248 Mg 61 0.7481 0.2220 0.8753 Mg 62 -0.4948 -0.2795 0.8743 Mg 63 -0.2453 0.7764 0.6246 Mg 84 0.5006 -0.0001 0.4990 Mg 85 0.7500 0.4999 0.4999 Mg 86 0.5009 -0.0004 0.7508 Mg 87 0.7500 0.4992 0.7498 Mg 88 0.9955 0.2767 0.6249 Mg 89 0.2427 0.2263 0.8672 Mg 90 0.0057 -0.2778 0.8758 Mg 91 0.2541 0.7772 0.6251 O 12 0.3842 0.0943 0.1197 O 13 0.6342 0.4077 0.3753 O 14 -0.3844 -0.0916 0.3739 O 15 -0.1340 0.5901 0.1251 O 16 0.1118 0.4422 0.1250 O 17 0.3607 0.0555 0.3731 O 18 -0.1121 -0.4454 0.3753 O 19 0.1282 0.9285 0.1250 O 20 0.1202 0.1726 0.0007 O 21 0.3869 0.3336 -0.0163 O 22 -0.1370 -0.1641 0.2660 O 23 0.1123 0.6584 0.2347 O 24 -0.1361 -0.1651 -0.0157 O 25 0.1127 0.6583 0.0155 O 26 0.1287 0.1697 0.2448 O 27 0.3877 0.3360 0.2669 O 40 0.8849 0.0918 0.1262 O 41 0.1341 0.4106 0.3771 O 42 0.1157 -0.0920 0.3755 O 43 0.3658 0.5886 0.1251 O 44 0.6114 0.4447 0.1248 O 45 0.8613 0.0543 0.3741 O 46 0.3889 -0.4458 0.3749 O 47 0.6417 0.9435 0.1267 O 48 0.6404 0.1592 0.0147 O 49 0.8863 0.3390 -0.0158 O 50 0.3610 -0.1622 0.2645 O 51 0.6117 0.6619 0.2341 O 52 0.3641 -0.1657 -0.0140 O 53 0.6120 0.6620 0.0159 O 54 0.6365 0.1622 0.2335 O 55 0.8873 0.3376 0.2663 O 68 0.3844 0.0910 0.6256 O 69 0.6339 0.4065 0.8748 O 70 -0.3809 -0.0954 0.8733 O 71 -0.1345 0.5914 0.6250 O 72 0.1115 0.4462 0.6250 O 73 0.3624 0.0545 0.8821 O 74 -0.1122 -0.4452 0.8742 O 75 0.1388 0.9449 0.6247 O 76 0.1373 0.1627 0.5171 O 77 0.3877 0.3377 0.4851 O 78 -0.1354 -0.1642 0.7650 O 79 0.1126 0.6635 0.7339 O 80 -0.1388 -0.1624 0.4840 O 81 0.1116 0.6638 0.5160 O 82 0.1375 0.1615 0.7334 O 83 0.3873 0.3358 0.7652 O 96 0.8845 0.0911 0.6251 O 97 0.1340 0.4111 0.8728 O 98 0.1174 -0.0928 0.8758 O 99 0.3657 0.5927 0.6253 O 100 0.6110 0.4453 0.6249 O 101 0.8632 0.0525 0.8752 O 102 0.3893 -0.4480 0.8754 O 103 0.6385 0.9451 0.6249 O 104 0.6380 0.1626 0.5161 O 105 0.8880 0.3371 0.4844 O 106 0.3631 -0.1609 0.7673 O 107 0.6121 0.6621 0.7340 O 108 0.3623 -0.1619 0.4834 O 109 0.6117 0.6625 0.5156 O 110 0.6383 0.1618 0.7346 O 111 0.8884 0.3366 0.7659 Si 9 0.4636 0.4066 0.3754 Si 10 -0.2133 -0.0933 0.3739 Si 11 0.0368 0.5898 0.1251 Si 36 0.7148 0.0925 0.1254 Si 37 0.9634 0.4072 0.3753 Si 38 0.2860 -0.0926 0.3743 Si 39 0.5365 0.5923 0.1250 Si 64 0.2136 0.0920 0.6248 Si 65 0.4635 0.4040 0.8750 Si 66 -0.2096 -0.0956 0.8749 Si 67 0.0362 0.5937 0.6250 Si 92 0.7138 0.0925 0.6251 Si 93 0.9633 0.4073 0.8750 Si 94 0.2876 -0.0943 0.8780 Si 95 0.5365 0.5930 0.6248