data_Conf6.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 0.2064 0.1240 0.2195 H 113 0.2064 0.1239 0.0305 H 114 0.2118 0.9832 0.1250 H 115 0.3233 0.1682 0.1249 Mg 1 0.0016 0.0008 0.0013 Mg 2 0.2511 0.4978 -0.0000 Mg 3 0.0017 0.0009 0.2487 Mg 4 0.2511 0.4978 0.2500 Mg 5 0.5119 0.2830 0.1250 Mg 6 0.7482 0.2240 0.3752 Mg 7 -0.4956 -0.2753 0.3748 Mg 8 -0.2444 0.7786 0.1250 Mg 28 0.4989 0.0031 -0.0008 Mg 29 0.7530 0.5017 -0.0002 Mg 30 0.4989 0.0031 0.2508 Mg 31 0.7530 0.5017 0.2502 Mg 32 0.0039 0.2699 0.1250 Mg 33 0.2437 0.2275 0.3840 Mg 34 0.0044 -0.2762 0.3743 Mg 35 0.2542 0.7686 0.1250 Mg 56 -0.0006 0.0001 0.4995 Mg 57 0.2505 0.5030 0.4999 Mg 58 -0.0006 0.0001 0.7505 Mg 59 0.2505 0.5030 0.7501 Mg 60 0.4971 0.2771 0.6250 Mg 61 0.7482 0.2240 0.8748 Mg 62 -0.4956 -0.2753 0.8752 Mg 63 -0.2459 0.7773 0.6250 Mg 84 0.4998 0.0005 0.4999 Mg 85 0.7503 0.5006 0.5000 Mg 86 0.4998 0.0005 0.7501 Mg 87 0.7503 0.5006 0.7500 Mg 88 0.9959 0.2771 0.6250 Mg 89 0.2437 0.2275 0.8660 Mg 90 0.0044 -0.2762 0.8757 Mg 91 0.2537 0.7774 0.6250 O 12 0.3846 0.0922 0.1250 O 13 0.6353 0.4089 0.3746 O 14 -0.3850 -0.0902 0.3747 O 15 -0.1322 0.5919 0.1250 O 16 0.1143 0.4424 0.1250 O 17 0.3590 0.0560 0.3750 O 18 -0.1109 -0.4449 0.3757 O 19 0.1270 0.9286 0.1250 O 20 0.1240 0.1673 -0.0004 O 21 0.3905 0.3363 -0.0143 O 22 -0.1386 -0.1627 0.2660 O 23 0.1136 0.6586 0.2347 O 24 -0.1386 -0.1627 -0.0160 O 25 0.1136 0.6586 0.0153 O 26 0.1240 0.1673 0.2504 O 27 0.3905 0.3363 0.2644 O 40 0.8848 0.0903 0.1250 O 41 0.1353 0.4109 0.3770 O 42 0.1152 -0.0927 0.3755 O 43 0.3682 0.5907 0.1250 O 44 0.6163 0.4498 0.1250 O 45 0.8608 0.0545 0.3751 O 46 0.3898 -0.4457 0.3742 O 47 0.6362 0.9473 0.1250 O 48 0.6404 0.1649 0.0161 O 49 0.8899 0.3384 -0.0155 O 50 0.3610 -0.1610 0.2647 O 51 0.6133 0.6654 0.2345 O 52 0.3610 -0.1610 -0.0147 O 53 0.6133 0.6654 0.0155 O 54 0.6404 0.1649 0.2339 O 55 0.8899 0.3384 0.2655 O 68 0.3839 0.0921 0.6250 O 69 0.6353 0.4089 0.8754 O 70 -0.3850 -0.0902 0.8753 O 71 -0.1344 0.5920 0.6250 O 72 0.1119 0.4466 0.6250 O 73 0.3590 0.0560 0.8750 O 74 -0.1109 -0.4449 0.8743 O 75 0.1384 0.9453 0.6250 O 76 0.1366 0.1631 0.5173 O 77 0.3885 0.3378 0.4838 O 78 -0.1390 -0.1626 0.7658 O 79 0.1119 0.6640 0.7340 O 80 -0.1390 -0.1626 0.4842 O 81 0.1119 0.6640 0.5160 O 82 0.1366 0.1631 0.7326 O 83 0.3885 0.3378 0.7662 O 96 0.8841 0.0916 0.6250 O 97 0.1353 0.4109 0.8730 O 98 0.1152 -0.0927 0.8745 O 99 0.3658 0.5929 0.6250 O 100 0.6112 0.4464 0.6250 O 101 0.8608 0.0545 0.8749 O 102 0.3898 -0.4457 0.8758 O 103 0.6379 0.9461 0.6250 O 104 0.6380 0.1635 0.5159 O 105 0.8886 0.3376 0.4842 O 106 0.3621 -0.1622 0.7664 O 107 0.6118 0.6635 0.7343 O 108 0.3621 -0.1622 0.4836 O 109 0.6118 0.6635 0.5157 O 110 0.6380 0.1635 0.7341 O 111 0.8886 0.3376 0.7658 Si 9 0.4647 0.4068 0.3743 Si 10 -0.2140 -0.0927 0.3749 Si 11 0.0384 0.5899 0.1250 Si 36 0.7147 0.0931 0.1250 Si 37 0.9644 0.4074 0.3751 Si 38 0.2857 -0.0927 0.3746 Si 39 0.5390 0.5965 0.1250 Si 64 0.2132 0.0925 0.6250 Si 65 0.4647 0.4068 0.8757 Si 66 -0.2140 -0.0927 0.8751 Si 67 0.0363 0.5940 0.6250 Si 92 0.7136 0.0935 0.6250 Si 93 0.9644 0.4074 0.8749 Si 94 0.2857 -0.0927 0.8754 Si 95 0.5365 0.5942 0.6250