data_global _chemical_name_mineral 'Pertsevite-(F)' loop_ _publ_author_name 'Schreyer W' 'Armbruster T' 'Bernhardt H J' 'Medenbach O' _journal_name_full 'European Journal of Mineralogy' _journal_volume 15 _journal_year 2003 _journal_page_first 1007 _journal_page_last 1018 _publ_section_title ; Pertsevite, a new silication magnesioborate mineral with an end-member composition Mg2BO3F, in kotoite marble from east of Verkhoyansk, Sakha-Yakutia, Russia ; _database_code_amcsd 0007020 _chemical_compound_source 'east of Verkhoyansk, Sakha-Yakutia, Russia' _chemical_formula_sum 'Mg8 B3.39 Si.61 O13.84 F2.16 H.96' _cell_length_a 20.490 _cell_length_b 4.571 _cell_length_c 11.890 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1113.615 _exptl_crystal_density_diffrn 3.052 _symmetry_space_group_name_H-M 'P n a 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,1/2+z' '-x,-y,1/2+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 Mg1 0.37800 0.51950 0.25060 1.00000 0.00950 Mg2 0.61790 0.98790 0.24550 1.00000 0.00950 Mg3 0.24640 0.53200 0.11370 1.00000 0.00950 Mg4 0.24790 0.53200 0.39030 1.00000 0.00950 Mg5 0.37840 0.51700 -0.02050 1.00000 0.00950 Mg6 0.37680 0.51900 0.52560 1.00000 0.00950 Mg7 0.48500 0.99500 0.12340 1.00000 0.00950 Mg8 0.51170 0.97800 -0.12270 1.00000 0.00950 B1 0.34350 0.04400 0.41800 0.91000 0.00456 Si1 0.33000 0.11700 0.37200 0.09000 0.00456 B2 0.52300 0.53000 0.22000 0.60000 0.00456 B2A 0.52200 0.58000 0.03400 0.15000 0.00456 Si2 0.53460 0.57600 0.26300 0.25000 0.00456 B3 0.18480 0.06700 0.24300 0.73000 0.00456 Si3 0.21030 0.10800 0.25800 0.27000 0.00456 B4 0.34500 0.07900 0.09300 1.00000 0.00456 O1 0.33390 0.76600 0.11480 1.00000 0.01216 O2 0.33750 0.76900 0.39000 1.00000 0.01216 O3 0.20330 0.76900 0.25600 1.00000 0.01216 O4 0.32860 0.71300 -0.15050 1.00000 0.01216 O5 0.17050 0.23800 0.14710 1.00000 0.01216 O6 0.46190 0.75000 -0.00680 0.48000 0.01216 O-H6 0.46190 0.75000 -0.00680 0.16000 0.01216 F6 0.46190 0.75000 -0.00680 0.36000 0.01216 O7 0.53680 0.24900 0.00820 0.48000 0.01216 O-H7 0.53680 0.24900 0.00820 0.16000 0.01216 F7 0.53680 0.24900 0.00820 0.36000 0.01216 O8 0.53080 0.24400 0.24500 0.48000 0.01216 O-H8 0.53080 0.24400 0.24500 0.16000 0.01216 F8 0.53080 0.24400 0.24500 0.36000 0.01216 O9 0.40130 0.21300 0.12000 1.00000 0.01216 O10 0.39920 0.21900 0.38560 1.00000 0.01216 O11 0.19920 0.71900 -0.01300 1.00000 0.01216 O12 0.30180 0.21100 0.01890 1.00000 0.01216 O13 0.46630 0.70200 0.25000 0.48000 0.01216 O-H13 0.46630 0.70200 0.25000 0.16000 0.01216 F13 0.46630 0.70200 0.25000 0.36000 0.01216 O14 0.42390 0.24300 -0.12280 0.48000 0.01216 O-H14 0.42390 0.24300 -0.12280 0.16000 0.01216 F14 0.42390 0.24300 -0.12280 0.36000 0.01216 O15 0.56750 0.70500 0.15050 1.00000 0.01216 O16 0.28840 0.31700 0.25000 0.48000 0.01216 O-H16 0.28840 0.31700 0.25000 0.16000 0.01216 F16 0.28840 0.31700 0.25000 0.36000 0.01216