data_global _chemical_name_mineral 'Fluormayenite' loop_ _publ_author_name 'Galuskin E V' 'Gfeller F' 'Armbruster T' 'Galuskina I O' 'Vapnik Y' 'Dulski M' 'Murashko M' 'Dzierzanowski P' 'Sharygin V V' 'Krivovichev S V' 'Wirth R' _journal_name_full 'European Journal of Mineralogy' _journal_volume 27 _journal_year 2015 _journal_page_first 123 _journal_page_last 136 _publ_section_title ; Mayenite supergroup, part III: fluormayenite, Ca12Al14O32[[]4F2], and fluorkyuygenite, Ca12Al14O32[(H2O)4F2], two new minerals from pyrometamorphic rocks of the Hatrurim Complex, South Levant ; _database_code_amcsd 0020495 _chemical_compound_source 'Jabel Harmun, Judean Mountains, Palestinian Autonomy, Israel' _chemical_formula_sum 'Ca5.981 Na.019 Al6.838 Fe.135 Mg.02 O16.593 F1.053 H1.053' _cell_length_a 11.9894 _cell_length_b 11.9894 _cell_length_c 11.9894 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1723.425 _exptl_crystal_density_diffrn 2.772 _symmetry_space_group_name_H-M 'I -4 3 d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2-z,x,-y' '-z,1/2+x,1/2-y' '1/2-y,z,-x' '-y,1/2+z,1/2-x' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '1/4+x,3/4-z,1/4-y' '3/4+x,1/4-z,3/4-y' '1/4+z,3/4-y,1/4-x' '3/4+z,1/4-y,3/4-x' '1/4+y,3/4-x,1/4-z' '3/4+y,1/4-x,3/4-z' '1/4+x,1/4+z,1/4+y' '3/4+x,3/4+z,3/4+y' '1/4+z,1/4+y,1/4+x' '3/4+z,3/4+y,3/4+x' '1/4+y,1/4+x,1/4+z' '3/4+y,3/4+x,3/4+z' '-z,1/2-x,y' '1/2-z,-x,1/2+y' '-y,1/2-z,x' '1/2-y,-z,1/2+x' '-x,1/2-y,z' '1/2-x,-y,1/2+z' '1/2+z,1/2-x,-y' '+z,-x,1/2-y' '1/2+y,1/2-z,-x' '+y,-z,1/2-x' '1/2+x,1/2-y,-z' '+x,-y,1/2-z' '3/4-x,3/4+z,1/4-y' '1/4-x,1/4+z,3/4-y' '3/4-z,3/4+y,1/4-x' '1/4-z,1/4+y,3/4-x' '3/4-y,3/4+x,1/4-z' '1/4-y,1/4+x,3/4-z' '3/4-x,1/4-z,1/4+y' '1/4-x,3/4-z,3/4+y' '3/4-z,1/4-y,1/4+x' '1/4-z,3/4-y,3/4+x' '3/4-y,1/4-x,1/4+z' '1/4-y,3/4-x,3/4+z' 'z,x,y' '1/2+z,1/2+x,1/2+y' 'y,z,x' '1/2+y,1/2+z,1/2+x' 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 0.13974 0.00000 0.25000 0.75590 0.01153 Na1 0.13974 0.00000 0.25000 0.00310 0.01153 Ca1a 0.18350 0.00000 0.25000 0.24100 0.01153 Al1 0.26832 0.26832 0.26832 0.95940 0.00754 Fe1 0.26832 0.26832 0.26832 0.03380 0.00754 Mg1 0.26832 0.26832 0.26832 0.00500 0.00754 Al2 0.12500 0.50000 0.25000 1.00000 0.00790 O1 0.30716 0.21386 0.40079 1.00000 0.01500 O2 0.18567 0.18567 0.18567 0.88500 0.01140 O-H2a 0.12100 0.21800 0.29600 0.05750 0.10200 F2a 0.12100 0.21800 0.29600 0.05750 0.10200 O-HW 0.37500 0.00000 0.25000 0.12090 0.02000 FW 0.37500 0.00000 0.25000 0.12090 0.02000 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 0.01380 0.01200 0.00880 0.00000 0.00000 0.00028 Na1 0.01380 0.01200 0.00880 0.00000 0.00000 0.00028 Ca1a 0.01380 0.01200 0.00880 0.00000 0.00000 0.00028 Al1 0.00754 0.00754 0.00754 0.00119 0.00119 0.00119 Fe1 0.00754 0.00754 0.00754 0.00119 0.00119 0.00119 Mg1 0.00754 0.00754 0.00754 0.00119 0.00119 0.00119 Al2 0.00710 0.00830 0.00830 0.00000 0.00000 0.00000 O1 0.01150 0.01730 0.01630 -0.00440 -0.00340 0.00820 O2 0.01140 0.01140 0.01140 -0.00200 -0.00200 -0.00200 O-H2a 0.01140 0.01140 0.01140 -0.00200 -0.00200 -0.00200 F2a 0.00300 0.02800 0.02800 0.00000 0.00000 0.00000 O-HW 0.00300 0.02800 0.02800 0.00000 0.00000 0.00000 FW 0.00300 0.02800 0.02800 0.00000 0.00000 0.00000