data_global _chemical_name_mineral 'Hydroxyledgrewite' loop_ _publ_author_name 'Galuskin E V' 'Lazic B' 'Armbruster T' 'Galuskina I O' 'Pertsev N N' 'Gazeev V M' 'Wlodyka R' 'Dulski M' 'Dzierzanowski P' 'Zadov A E' 'Dubrovinsky L S' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 1998 _journal_page_last 2006 _publ_section_title ; Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia ; _database_code_amcsd 0019558 _chemical_compound_source 'Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia' _chemical_formula_sum 'Ca9 Si4 O17.216 F.784 H1.2' _cell_length_a 5.0672 _cell_length_b 11.3545 _cell_length_c 15.3941 _cell_angle_alpha 100.587 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 870.630 _exptl_crystal_density_diffrn 2.917 _symmetry_space_group_name_H-M 'P 21/b 1 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,1/2+y,z' '1/2+x,1/2-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 Ca1 0.50000 0.00000 0.50000 1.00000 0.00884 Ca2 0.49509 0.94662 0.27369 1.00000 0.00896 Ca3 0.00492 0.13653 0.17279 1.00000 0.00835 Ca4 0.50779 0.25408 0.38899 1.00000 0.00798 Ca5 0.49252 0.87168 0.04250 1.00000 0.00889 Si1 0.07117 0.06837 0.38950 1.00000 0.00639 Si2 0.07545 0.17905 0.83406 1.00000 0.00666 O1 0.75075 0.06615 0.38795 1.00000 0.00930 O2 0.29857 0.43467 0.38816 1.00000 0.00824 O3 0.20261 0.11343 0.30367 1.00000 0.00882 O4 0.20156 0.15466 0.47629 1.00000 0.00917 O5 0.25522 0.32029 0.16366 1.00000 0.00967 O6 0.79505 0.95277 0.16192 1.00000 0.00910 O7 0.70380 0.28052 0.25421 1.00000 0.00910 O8 0.70743 0.23048 0.08132 1.00000 0.00904 O9 0.23090 0.04123 0.04630 0.60800 0.01000 F9 0.26720 0.04640 0.05940 0.39200 0.01000 H1 0.09100 -0.01200 0.02300 0.60000 0.22000 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 Ca1 0.00786 0.01119 0.00793 0.00046 -0.00111 0.00293 Ca2 0.00786 0.01000 0.00823 0.00077 0.00119 -0.00042 Ca3 0.00902 0.00734 0.00887 0.00047 -0.00022 0.00193 Ca4 0.00870 0.00686 0.00835 -0.00025 -0.00018 0.00133 Ca5 0.00966 0.00912 0.00793 0.00025 -0.00081 0.00165 Si1 0.00570 0.00672 0.00670 0.00009 -0.00008 0.00109 Si2 0.00596 0.00678 0.00712 0.00000 0.00019 0.00099 O1 0.00630 0.01130 0.01040 0.00030 -0.00030 0.00210 O2 0.00830 0.00680 0.00970 -0.00020 0.00000 0.00160 O3 0.00870 0.01000 0.00830 -0.00050 0.00020 0.00300 O4 0.00890 0.00920 0.00890 -0.00050 -0.00020 0.00030 O5 0.00680 0.01040 0.01170 0.00000 -0.00050 0.00190 O6 0.00970 0.00700 0.01050 0.00010 0.00030 0.00140 O7 0.00930 0.00990 0.00830 0.00060 0.00000 0.00240 O8 0.00870 0.00910 0.00860 0.00010 0.00010 -0.00020