data_global _amcsd_formula_title 'C12 H43 F6 Ga5 N4 O22 P4' loop_ _publ_author_name 'Josien L' 'Simon A' 'Gramlich V' 'Patarin J' _journal_name_full 'Chemistry - A European Journal' _journal_volume 8 _journal_year 2002 _journal_page_first 1614 _journal_page_last 1620 _publ_section_title ; Hydrothermal synthesis and characterization of the new layered fluorogallophosphate Mu-23 _cod_database_code 1004032 ; _database_code_amcsd 0012195 _chemical_formula_sum 'Ga5 P4 O22 H43 F6 N4 C12' _cell_length_a 8.735 _cell_length_b 8.864 _cell_length_c 12.636 _cell_angle_alpha 98.36 _cell_angle_beta 100.18 _cell_angle_gamma 115.84 _cell_volume 838.918 _exptl_crystal_density_diffrn 2.340 _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 Ga1 0.00000 0.50000 0.00000 1.00000 0.00893 Ga2 0.27456 0.03080 0.00642 1.00000 0.00971 Ga3 0.73844 0.37774 -0.27681 1.00000 0.01065 P1 0.60563 0.22351 -0.07886 1.00000 0.00970 P2 0.09343 0.24599 0.10892 1.00000 0.00930 O4 0.19170 0.14100 0.09390 1.00000 0.01550 O8 0.66930 0.14340 -0.35060 1.00000 0.01770 H8X 0.64970 0.06240 -0.31820 1.00000 0.04000 H8Y 0.66460 0.11350 -0.41980 1.00000 0.04000 O6 0.43940 0.19500 -0.04100 1.00000 0.01480 F2 0.90320 0.43620 -0.36180 1.00000 0.01840 F1 0.93310 0.40310 -0.16010 1.00000 0.01360 O3 0.19110 0.37930 0.21890 1.00000 0.01360 O5 0.38820 -0.05010 0.09880 1.00000 0.01510 O9 0.23240 0.64510 -0.01220 1.00000 0.01260 O7 0.58590 0.28000 -0.18550 1.00000 0.01420 F3 0.56000 0.37300 -0.38360 1.00000 0.01870 O2 -0.09360 0.11770 0.11590 1.00000 0.01270 N1 -0.10900 0.71690 0.30290 1.00000 0.02350 H1A -0.03900 0.66670 0.30200 0.50000 0.03500 O2W 0.87700 0.22800 0.32900 1.00000 0.03990 H5W 0.94160 0.33900 0.34700 1.00000 0.04000 H4W 0.85680 0.18970 0.25820 1.00000 0.04000 O1W 0.69520 0.02530 0.45110 1.00000 0.03110 H1W 0.75300 0.08920 0.41150 1.00000 0.04000 H2W 0.58450 -0.04030 0.41670 1.00000 0.04000 N4 -0.41560 0.43430 0.33290 1.00000 0.02030 H4A -0.48540 0.48460 0.33410 1.00000 0.03000 C2 -0.27200 0.61200 0.21090 1.00000 0.02610 H2A -0.24160 0.60710 0.14150 1.00000 0.03900 H2B -0.34630 0.66610 0.20960 1.00000 0.03900 C5 -0.25170 0.54140 0.42580 1.00000 0.02340 H5C -0.17670 0.48810 0.42740 1.00000 0.03500 H5D -0.28230 0.54640 0.49510 1.00000 0.03500 C6 -0.15510 0.72120 0.41140 1.00000 0.02490 H6A -0.22760 0.77690 0.41420 1.00000 0.03700 H6B -0.04880 0.78760 0.47090 1.00000 0.03700 C3 -0.37050 0.43240 0.22430 1.00000 0.02570 H3A -0.47680 0.36800 0.16460 1.00000 0.03800 H3B -0.29950 0.37520 0.22050 1.00000 0.03800 C8 -0.01240 0.89450 0.28860 1.00000 0.04170 H8A 0.01540 0.88820 0.21840 1.00000 0.06300 H8B -0.08480 0.95050 0.29050 1.00000 0.06300 H8C 0.09480 0.95980 0.34750 1.00000 0.06300 C7 -0.51600 0.25500 0.34550 1.00000 0.03260 H7A -0.62070 0.18900 0.28490 1.00000 0.04900 H7B -0.44190 0.20070 0.34620 1.00000 0.04900 H7C -0.54830 0.26020 0.41420 1.00000 0.04900 O1 0.07180 0.32160 0.01130 1.00000 0.01210 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ga1 0.00550 0.00990 0.01000 0.00230 0.00260 0.00250 Ga2 0.00600 0.00990 0.01330 0.00320 0.00440 0.00271 Ga3 0.00750 0.01240 0.01060 0.00370 0.00287 0.00198 P1 0.00550 0.01030 0.01350 0.00280 0.00440 0.00410 P2 0.00640 0.00910 0.01140 0.00300 0.00300 0.00150 O4 0.01590 0.01790 0.01700 0.01230 0.00570 0.00140 O8 0.03100 0.00940 0.01490 0.01100 0.01020 0.00140 O6 0.00920 0.01630 0.02160 0.00580 0.00840 0.00820 F2 0.01620 0.02530 0.01890 0.01150 0.01140 0.00670 F1 0.01010 0.01770 0.01220 0.00670 0.00310 0.00150 O3 0.01420 0.01190 0.01230 0.00600 0.00140 -0.00040 O5 0.01650 0.01330 0.01580 0.00950 0.00090 0.00080 O9 0.00560 0.01420 0.01430 0.00110 0.00360 0.00370 O7 0.00980 0.01890 0.01620 0.00700 0.00630 0.00750 F3 0.01430 0.02540 0.01460 0.01030 0.00050 0.00120 O2 0.00690 0.01370 0.01430 0.00190 0.00530 0.00170 N1 0.01600 0.02800 0.03400 0.01400 0.01120 0.01200 O2W 0.04600 0.02800 0.04000 0.00660 0.03000 0.00800 O1W 0.02600 0.03100 0.02600 0.00460 0.00930 0.00220 N4 0.01700 0.02600 0.02100 0.01340 0.00550 0.00380 C2 0.02700 0.04300 0.01800 0.02400 0.00800 0.00900 C5 0.02200 0.03300 0.01800 0.01600 0.00400 0.00600 C6 0.02300 0.02700 0.02300 0.01200 0.00600 0.00100 C3 0.02700 0.03600 0.01700 0.01800 0.00700 0.00300 C8 0.04000 0.03500 0.06700 0.02300 0.02500 0.02900 C7 0.02800 0.02900 0.03600 0.00900 0.00600 0.01000 O1 0.01060 0.01270 0.01330 0.00560 0.00390 0.00330