data_global _chemical_name_mineral 'Edgrewite' 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 0019557 _chemical_compound_source 'Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia' _chemical_formula_sum 'Ca9 Si4 O17.04 F.96' _cell_length_a 5.0687 _cell_length_b 11.3579 _cell_length_c 15.4004 _cell_angle_alpha 100.598 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 871.474 _exptl_crystal_density_diffrn 2.911 _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 0.00692 Ca2 0.49508 0.94666 0.27370 1.00000 0.00698 Ca3 0.00478 0.13653 0.17283 1.00000 0.00645 Ca4 0.50769 0.25407 0.38901 1.00000 0.00606 Ca5 0.49245 0.87168 0.04256 1.00000 0.00696 Si1 0.07123 0.06835 0.38955 1.00000 0.00430 Si2 0.07549 0.17901 0.83411 1.00000 0.00466 O1 0.75110 0.06609 0.38803 1.00000 0.00740 O2 0.29860 0.43501 0.38809 1.00000 0.00620 O3 0.20280 0.11311 0.30359 1.00000 0.00700 O4 0.20170 0.15466 0.47638 1.00000 0.00730 O5 0.25500 0.32030 0.16362 1.00000 0.00750 O6 0.79500 0.95261 0.16185 1.00000 0.00680 O7 0.70410 0.28081 0.25414 1.00000 0.00730 O8 0.70730 0.23059 0.08118 1.00000 0.00670 O9 0.22850 0.04040 0.04450 0.52000 0.00920 F9 0.26190 0.04590 0.05850 0.48000 0.00920 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 0.00440 0.00980 0.00750 0.00020 -0.00100 0.00390 Ca2 0.00458 0.00820 0.00785 0.00077 0.00088 0.00066 Ca3 0.00553 0.00596 0.00842 0.00040 -0.00017 0.00282 Ca4 0.00513 0.00561 0.00779 -0.00014 -0.00006 0.00211 Ca5 0.00614 0.00750 0.00770 0.00003 -0.00082 0.00270 Si1 0.00170 0.00530 0.00640 -0.00007 -0.00003 0.00240 Si2 0.00230 0.00520 0.00700 0.00021 0.00012 0.00260 O1 0.00320 0.00920 0.01010 -0.00020 -0.00050 0.00270 O2 0.00540 0.00470 0.00920 -0.00030 0.00040 0.00350 O3 0.00590 0.00820 0.00780 -0.00070 0.00040 0.00380 O4 0.00540 0.00900 0.00770 0.00020 0.00010 0.00160 O5 0.00440 0.00770 0.01130 0.00000 -0.00010 0.00410 O6 0.00710 0.00410 0.01000 0.00020 0.00110 0.00310 O7 0.00610 0.00780 0.00870 0.00070 -0.00020 0.00330 O8 0.00590 0.00790 0.00650 0.00010 -0.00020 0.00230