data_global _chemical_name_mineral 'Gyrolite' loop_ _publ_author_name 'Merlino S' _journal_name_full 'Mineralogical Magazine' _journal_volume 52 _journal_year 1988 _journal_page_first 377 _journal_page_last 387 _publ_section_title ; Gyrolite: its crystal structure and crystal chemistry Note: x-coordinate of O102 adjusted to match reported bond lengths Note: occupancies invented to match formula Locality: Qarusait, Greenland ; _database_code_amcsd 0014488 _chemical_compound_source 'Qarusait, Greenland' _chemical_formula_sum 'Na Ca16 Si23 Al O82 H28' _cell_length_a 9.74 _cell_length_b 9.74 _cell_length_c 22.40 _cell_angle_alpha 95.7 _cell_angle_beta 91.5 _cell_angle_gamma 120.0 _cell_volume 1824.129 _exptl_crystal_density_diffrn 2.437 _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 Na 0.00000 0.00000 0.50000 1.00000 0.17351 Ca10 0.70480 0.39020 0.16730 1.00000 0.00038 Ca20 0.27620 0.10140 0.14460 1.00000 0.00038 Ca21 -0.01760 0.24250 0.14480 1.00000 0.00038 Ca22 -0.15960 -0.19410 0.14470 1.00000 0.00038 Ca30 0.42590 0.53570 0.16840 1.00000 0.00038 Ca31 -0.43870 -0.03110 0.16820 1.00000 0.00038 Ca32 0.12810 -0.32990 0.16740 1.00000 0.00038 Si10 0.21930 0.32840 0.03310 0.96000 0.00051 Al10 0.21930 0.32840 0.03310 0.04000 0.00051 Si11 0.30860 0.09520 -0.03290 0.93000 0.00051 Al11 0.30860 0.09520 -0.03290 0.07000 0.00051 Si12 0.11300 0.80120 0.03280 0.96000 0.00051 Al12 0.11300 0.80120 0.03280 0.04000 0.00051 Si20 0.34470 0.68380 0.04850 1.00000 0.00051 Si30 0.42670 0.33190 0.28290 1.00000 0.00051 Si31 0.82380 0.22150 0.28310 0.96000 0.00051 Al31 0.82380 0.22150 0.28310 0.04000 0.00051 Si32 0.93670 0.73010 0.28180 1.00000 0.00051 Si40 0.18730 0.46020 0.28200 1.00000 0.00051 Si41 0.69960 0.85440 0.28080 1.00000 0.00051 Si42 0.30560 0.96990 0.28000 0.96000 0.00051 Al42 0.30560 0.96990 0.28000 0.04000 0.00051 Si50 0.74610 0.45280 0.35570 0.93000 0.00051 Al50 0.74610 0.45280 0.35570 0.07000 0.00051 Si60 0.41690 0.78890 0.35160 0.80000 0.00051 Al60 0.41690 0.78890 0.35160 0.20000 0.00051 O10 0.24160 0.30110 0.10080 1.00000 0.00063 O11 0.23720 0.00920 -0.09990 1.00000 0.00063 O12 0.06630 0.81430 0.10020 1.00000 0.00063 O20 0.51660 0.13800 0.11650 1.00000 0.00063 O21 -0.07170 0.43640 0.11640 1.00000 0.00063 O22 -0.36710 -0.45220 0.11600 1.00000 0.00063 O30 0.18510 0.48710 0.21270 1.00000 0.00063 O31 0.63910 0.79630 0.21000 1.00000 0.00063 O32 0.32340 0.93590 0.20960 1.00000 0.00063 O40 0.46590 0.34200 0.21380 1.00000 0.00063 O41 0.77700 0.21930 0.21300 1.00000 0.00063 O42 0.89810 0.65570 0.21260 1.00000 0.00063 O50 0.04000 0.06380 0.18780 1.00000 0.00063 O60 0.36170 0.70790 0.12050 1.00000 0.00063 O70 0.25410 0.22870 -0.02070 1.00000 0.00063 O71 0.24180 0.97940 0.02020 1.00000 0.00063 O72 0.02950 0.26600 0.02020 1.00000 0.00063 O80 0.32800 0.51550 0.02160 1.00000 0.00063 O81 0.49590 0.81880 0.02300 1.00000 0.00063 O82 0.19210 0.68840 0.02140 1.00000 0.00063 O90 0.30110 0.39170 0.29850 1.00000 0.00063 O91 0.77000 0.04240 0.29960 1.00000 0.00063 O92 0.12050 0.85750 0.29550 1.00000 0.00063 O100 0.34000 0.15180 0.29940 1.00000 0.00063 O101 0.01750 0.32690 0.29990 1.00000 0.00063 O102 0.84530 0.82990 0.29850 1.00000 0.00063 O110 0.43660 0.81930 0.42410 1.00000 0.00063 O111 0.76860 0.48170 0.42680 1.00000 0.00063 O120 0.24400 0.62360 0.32520 1.00000 0.00063 O121 0.56200 0.76690 0.32390 1.00000 0.00063 O122 0.42120 0.93850 0.32140 1.00000 0.00063 O130 0.58020 0.43800 0.33040 1.00000 0.00063 O131 0.74020 0.28700 0.32710 1.00000 0.00063 O132 0.89040 0.59700 0.32460 1.00000 0.00063 Ca4 0.33020 0.67180 0.49830 1.00000 0.05193 Wat1 0.29190 0.87400 0.54640 1.00000 0.11019 Wat2 0.07840 0.54750 0.43910 1.00000 0.10132 Wat3 0.39310 0.48920 0.44780 1.00000 0.15198 Wat4 0.58770 0.83030 0.55820 1.00000 0.15958 Wat5 0.76840 0.77480 0.44220 1.00000 0.18998 Wat6 0.94700 0.82550 0.58640 1.00000 0.20644 Wat7 0.86870 0.11740 0.54890 1.00000 0.19758