data_Conf1.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 0.3017 0.0275 0.1250 H 113 0.2150 0.1527 0.2058 H 114 0.2150 0.1527 0.0442 H 115 0.0398 0.8412 0.1250 Mg 1 0.0044 0.0106 -0.0002 Mg 2 0.2492 0.4983 -0.0007 Mg 3 0.0044 0.0106 0.2502 Mg 4 0.2492 0.4983 0.2507 Mg 5 0.4930 0.2768 0.1250 Mg 6 0.7458 0.2249 0.3748 Mg 7 -0.4960 -0.2756 0.3752 Mg 8 -0.2481 0.7775 0.1250 Mg 28 0.5020 0.0012 -0.0009 Mg 29 0.7501 0.4999 0.0000 Mg 30 0.5020 0.0013 0.2509 Mg 31 0.7501 0.4999 0.2500 Mg 32 0.0014 0.2732 0.1250 Mg 33 0.2445 0.2271 0.3829 Mg 34 0.0031 -0.2751 0.3745 Mg 35 0.2597 0.7708 0.1250 Mg 56 -0.0011 0.0007 0.4998 Mg 57 0.2495 0.5037 0.5002 Mg 58 -0.0011 0.0007 0.7502 Mg 59 0.2495 0.5037 0.7498 Mg 60 0.4963 0.2779 0.6250 Mg 61 0.7458 0.2249 0.8752 Mg 62 -0.4960 -0.2756 0.8748 Mg 63 -0.2462 0.7783 0.6250 Mg 84 0.4997 0.0009 0.4998 Mg 85 0.7498 0.5015 0.5000 Mg 86 0.4997 0.0009 0.7502 Mg 87 0.7498 0.5015 0.7500 Mg 88 0.9954 0.2783 0.6250 Mg 89 0.2445 0.2271 0.8671 Mg 90 0.0031 -0.2751 0.8755 Mg 91 0.2537 0.7783 0.6250 O 12 0.3842 0.0840 0.1250 O 13 0.6339 0.4092 0.3752 O 14 -0.3846 -0.0907 0.3748 O 15 -0.1344 0.5909 0.1250 O 16 0.1129 0.4434 0.1250 O 17 0.3605 0.0561 0.3754 O 18 -0.1123 -0.4443 0.3754 O 19 0.1051 0.9150 0.1250 O 20 0.1280 0.1713 0.0037 O 21 0.3869 0.3369 -0.0165 O 22 -0.1388 -0.1632 0.2657 O 23 0.1111 0.6601 0.2342 O 24 -0.1388 -0.1632 -0.0157 O 25 0.1111 0.6601 0.0158 O 26 0.1280 0.1713 0.2463 O 27 0.3869 0.3369 0.2665 O 40 0.8840 0.0971 0.1250 O 41 0.1340 0.4121 0.3773 O 42 0.1151 -0.0902 0.3751 O 43 0.3653 0.5904 0.1250 O 44 0.6106 0.4453 0.1250 O 45 0.8605 0.0557 0.3743 O 46 0.3886 -0.4448 0.3746 O 47 0.6413 0.9476 0.1250 O 48 0.6360 0.1649 0.0161 O 49 0.8881 0.3389 -0.0161 O 50 0.3603 -0.1602 0.2643 O 51 0.6109 0.6632 0.2340 O 52 0.3603 -0.1602 -0.0143 O 53 0.6109 0.6632 0.0160 O 54 0.6360 0.1649 0.2339 O 55 0.8881 0.3389 0.2661 O 68 0.3836 0.0925 0.6250 O 69 0.6339 0.4092 0.8748 O 70 -0.3846 -0.0907 0.8752 O 71 -0.1350 0.5937 0.6250 O 72 0.1109 0.4483 0.6250 O 73 0.3605 0.0561 0.8746 O 74 -0.1123 -0.4443 0.8746 O 75 0.1381 0.9461 0.6250 O 76 0.1364 0.1638 0.5171 O 77 0.3876 0.3389 0.4848 O 78 -0.1387 -0.1611 0.7659 O 79 0.1114 0.6657 0.7341 O 80 -0.1387 -0.1611 0.4841 O 81 0.1114 0.6657 0.5159 O 82 0.1364 0.1638 0.7329 O 83 0.3876 0.3389 0.7652 O 96 0.8838 0.0924 0.6250 O 97 0.1340 0.4121 0.8727 O 98 0.1151 -0.0902 0.8749 O 99 0.3654 0.5939 0.6250 O 100 0.6109 0.4472 0.6250 O 101 0.8605 0.0557 0.8757 O 102 0.3886 -0.4448 0.8755 O 103 0.6377 0.9469 0.6250 O 104 0.6375 0.1641 0.5158 O 105 0.8876 0.3383 0.4845 O 106 0.3618 -0.1622 0.7669 O 107 0.6115 0.6642 0.7343 O 108 0.3618 -0.1622 0.4831 O 109 0.6115 0.6642 0.5158 O 110 0.6375 0.1641 0.7342 O 111 0.8876 0.3383 0.7655 Si 9 0.4634 0.4075 0.3750 Si 10 -0.2135 -0.0923 0.3741 Si 11 0.0364 0.5896 0.1250 Si 36 0.7137 0.0963 0.1250 Si 37 0.9633 0.4081 0.3753 Si 38 0.2856 -0.0915 0.3745 Si 39 0.5362 0.5927 0.1250 Si 64 0.2129 0.0934 0.6250 Si 65 0.4634 0.4075 0.8750 Si 66 -0.2135 -0.0923 0.8759 Si 67 0.0358 0.5960 0.6250 Si 92 0.7132 0.0944 0.6250 Si 93 0.9633 0.4081 0.8747 Si 94 0.2856 -0.0915 0.8755 Si 95 0.5362 0.5948 0.6250