data_global _chemical_name_mineral 'Agrellite' loop_ _publ_author_name 'Rozhdestvenskaya I V' 'Nikishova L V' _journal_name_full 'Crystallography Reports' _journal_volume 43 _journal_year 1998 _journal_page_first 589 _journal_page_last 597 _publ_section_title ; Crystal structure of Na(Ca,Sr)2Si4O10F strontium agrellite from Yakutian charoitites: agrellite polytypes ; _database_code_amcsd 0019049 _chemical_compound_source 'Sirenevyi Kamen deposit, Murunskii massif, Yakutia, Russia' _chemical_formula_sum 'Ca3.46 Sr.3 Na2.1 Si8 F2 O20' _cell_length_a 7.788 _cell_length_b 18.941 _cell_length_c 6.995 _cell_angle_alpha 90.17 _cell_angle_beta 116.78 _cell_angle_gamma 94.16 _cell_volume 918.013 _exptl_crystal_density_diffrn 2.879 _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 Ca1A 0.00680 0.21880 0.00230 0.70000 0.02026 Sr1A 0.00680 0.21880 0.00230 0.30000 0.02026 Ca1B 0.53920 0.28420 0.02310 0.86000 0.01013 Na1B 0.53920 0.28420 0.02310 0.14000 0.01013 Ca2A 0.44910 0.72030 0.47540 0.90000 0.01089 Na2A 0.44910 0.72030 0.47540 0.10000 0.01089 Ca2B 0.99880 0.78470 0.49420 1.00000 0.02533 Si1A 0.20800 0.92870 0.37500 1.00000 0.02786 Si1B 0.30730 0.56600 0.15600 1.00000 0.01140 Si2A 0.48600 0.87530 0.21500 1.00000 0.02153 Si2B 0.02330 0.61810 0.29320 1.00000 0.00760 Si3A 0.83420 0.91070 0.66710 1.00000 0.01267 Si3B 0.67550 0.59210 0.83400 1.00000 0.02026 Si4A 0.48660 0.87930 0.76730 1.00000 0.01900 Si4B 0.02550 0.62090 0.72850 1.00000 0.01900 NaA 0.23500 0.00820 0.86800 1.03000 0.03293 NaB 0.26100 0.50350 0.62800 0.86000 0.03420 FA 0.75600 0.76070 0.13100 1.00000 0.05066 FB 0.21400 0.24380 0.37500 1.00000 0.01393 O1A 0.35900 0.93840 0.61900 1.00000 0.00887 O1B 0.18100 0.56930 0.90200 1.00000 0.03040 O2A 0.09700 0.00720 0.29300 1.00000 0.00633 O2B 0.40300 0.49600 0.19900 1.00000 0.02786 O3A 0.34800 0.93540 0.22800 1.00000 0.03926 O3B 0.16200 0.56470 0.26600 1.00000 0.01013 O4A 0.06200 0.86500 0.27700 1.00000 0.01140 O4B 0.45500 0.63660 0.22500 1.00000 0.02406 O5A 0.38600 0.79610 0.18900 1.00000 0.01140 O5B 0.10000 0.69540 0.31400 1.00000 0.00887 O6A 0.51000 0.90600 0.00900 1.00000 0.03926 O6B 0.00000 0.58880 0.50000 1.00000 0.01393 O7A 0.69800 0.89250 0.41200 1.00000 0.01773 O7B 0.82100 0.60180 0.10700 1.00000 0.02406 O8A 0.02100 0.87220 0.76100 1.00000 0.02533 O8B 0.49600 0.63760 0.74800 1.00000 0.01267 O9A 0.70300 0.89300 0.79300 1.00000 0.00887 O9B 0.81400 0.59600 0.71300 1.00000 0.07219 O10A 0.40600 0.80200 0.69800 1.00000 0.02026 O1OB 0.11400 0.70160 0.78500 1.00000 0.00545