data_global _chemical_name_mineral 'Sapphirine' loop_ _publ_author_name 'Barbier J' _journal_name_full 'European Journal of Mineralogy' _journal_volume 10 _journal_year 1998 _journal_page_first 1283 _journal_page_last 1293 _publ_section_title ; Crystal structures of sapphirine and surinamite analogues in the MgO-Ga2O3-GeO2 system ; _database_code_amcsd 0006761 _chemical_formula_sum 'Mg2.218 Ga3.557 Ge1.225 O10' _cell_length_a 8.822 _cell_length_b 9.794 _cell_length_c 10.256 _cell_angle_alpha 63.82 _cell_angle_beta 84.77 _cell_angle_gamma 65.32 _cell_volume 717.875 _exptl_crystal_density_diffrn 5.097 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz '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 MgM1 -0.16399 0.85163 -0.54427 0.20600 0.00600 GaM1 -0.16399 0.85163 -0.54427 0.79400 0.00600 MgM2 -0.85269 0.16275 0.04998 0.18800 0.00630 GaM2 -0.85269 0.16275 0.04998 0.81200 0.00630 MgM3 -0.05656 0.94779 -0.34829 0.60100 0.00630 GaM3 -0.05656 0.94779 -0.34829 0.39900 0.00630 MgM4 -0.05560 0.94000 -0.84570 0.92300 0.00570 GaM4 -0.05560 0.94000 -0.84570 0.07700 0.00570 MgM5 -0.37060 0.64370 -0.43530 1.00000 0.00560 MgM6 -0.35620 0.62980 0.04850 1.00000 0.00680 MgM7 -0.25571 0.74314 0.25285 0.10000 0.00660 GaM7 -0.25571 0.74314 0.25285 0.90000 0.00660 MgM8 0.50000 0.00000 0.00000 0.46600 0.00660 GaM8 0.50000 0.00000 0.00000 0.53400 0.00660 MgM9 0.00000 0.50000 0.50000 0.37000 0.00660 GaM9 0.00000 0.50000 0.50000 0.63000 0.00660 GaT1 -0.24815 0.35968 0.41894 0.54000 0.00550 GeT1 -0.24815 0.35968 0.41894 0.46000 0.00550 GaT2 -0.24858 0.35407 -0.08501 0.40000 0.00550 GeT2 -0.24858 0.35407 -0.08501 0.60000 0.00550 GaT3 -0.35083 0.24904 0.22088 0.46000 0.00550 GeT3 -0.35083 0.24904 0.22088 0.54000 0.00550 GaT4 -0.36222 0.24790 0.72147 0.55000 0.00560 GeT4 -0.36222 0.24790 0.72147 0.45000 0.00560 GaT5 -0.05744 0.57169 -0.19520 0.82000 0.00550 GeT5 -0.05744 0.57169 -0.19520 0.18000 0.00550 GaT6 -0.42955 0.94146 -0.31117 0.78000 0.00550 GeT6 -0.42955 0.94146 -0.31117 0.22000 0.00550 O1 -0.37920 0.86600 -0.62280 1.00000 0.00710 O2 -0.37600 0.87180 -0.11910 1.00000 0.00670 O3 -0.16390 0.05750 0.28470 1.00000 0.00620 O4 -0.16710 0.05820 0.78380 1.00000 0.00690 O5 -0.26790 0.96140 -0.42200 1.00000 0.01010 O6 -0.26820 0.93780 -0.92340 1.00000 0.00810 O7 -0.05560 0.16470 0.47940 1.00000 0.00770 O8 -0.05950 0.16560 -0.01920 1.00000 0.00640 O9 -0.12780 0.62310 -0.37950 1.00000 0.00580 O10 -0.13530 0.62170 0.12780 1.00000 0.00780 O11 -0.32110 0.40950 -0.26520 1.00000 0.00740 O12 -0.32190 0.41230 0.23420 1.00000 0.00630 O13 -0.03780 0.73470 -0.17520 1.00000 0.01000 O14 -0.06200 0.73030 -0.66180 1.00000 0.00740 O15 -0.21610 0.52130 -0.08250 1.00000 0.00900 O16 -0.22440 0.53360 0.42630 1.00000 0.00870 O17 -0.41170 0.32130 0.52920 1.00000 0.00750 O18 -0.40930 0.32310 0.02880 1.00000 0.00690 O19 -0.52000 0.21570 0.32050 1.00000 0.00980 O20 -0.46660 0.77520 0.16920 1.00000 0.00950