data_global _chemical_name_mineral 'Tassieite' loop_ _publ_author_name 'Grew E S' 'Armbruster T' 'Medenbach O' 'Yates M G' 'Carson C J' _journal_name_full 'The Canadian Mineralogist' _journal_volume 45 _journal_year 2007 _journal_page_first 293 _journal_page_last 305 _publ_section_title ; Tassieite, (Na,_)Ca2(Mg,Fe2+,Fe3+)2(Fe3+,Mg)2(Fe2+,Mg)2(PO4)6*2H2O, a new hydrothermal wicksite-group mineral in fluorapatite nodules from granulite- facies paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica Sample: 2 ; _database_code_amcsd 0006137 _chemical_compound_source 'Larsemann Hills, Prydz Bay, East Antarctica' _chemical_formula_sum 'Na.463 Ca2 Fe3.314 Mg2.686 P6 O26 H4' _cell_length_a 12.4595 _cell_length_b 11.5955 _cell_length_c 12.7504 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1842.103 _exptl_crystal_density_diffrn 3.415 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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 Na 0.00000 -0.50000 0.50000 0.46300 0.05066 Ca 0.23841 0.00148 0.37498 1.00000 0.01482 Fe2+1 0.15147 -0.23132 0.20756 0.23200 0.01216 Fe3+1 0.15147 -0.23132 0.20756 0.08400 0.01216 Mg1 0.15147 -0.23132 0.20756 0.68400 0.01216 Fe3+2 0.16801 0.22717 0.54175 0.68400 0.00887 Mg2 0.16801 0.22717 0.54175 0.31600 0.00887 Fe2+3 0.01814 -0.46041 0.27722 0.65700 0.03116 Mg3 0.01814 -0.46041 0.27722 0.34300 0.03116 P1 0.10935 0.22866 0.79975 1.00000 0.01064 P2 0.40130 0.24099 0.44377 1.00000 0.01115 P3 0.26527 -0.02302 0.62460 1.00000 0.01153 O1 0.00300 0.28720 0.77250 1.00000 0.01355 O2 0.09080 0.10500 0.83530 1.00000 0.01469 O3 0.18120 0.22500 0.70160 1.00000 0.01305 O4 0.16550 0.30000 0.88480 1.00000 0.01165 O5 0.33560 0.24210 0.54560 1.00000 0.01140 O6 0.15250 -0.18320 0.36130 1.00000 0.01241 O7 0.40870 0.11580 0.40600 1.00000 0.01608 O8 0.01220 0.20620 0.53330 1.00000 0.01355 O9 0.19060 -0.41740 0.20380 1.00000 0.01494 O10 0.14910 -0.04150 0.18910 1.00000 0.01469 O11 0.19840 0.05570 0.55230 1.00000 0.01229 O12 0.17450 0.39600 0.54940 1.00000 0.01545 Ow 0.02680 0.00910 0.37880 1.00000 0.02242 H1 0.00700 0.05600 0.41400 1.00000 0.01773 H2 -0.00100 -0.06400 0.39400 1.00000 0.15705 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 Na 0.04100 0.06500 0.04700 -0.01800 0.00000 0.03300 Ca 0.01760 0.01580 0.01100 -0.00090 0.00190 -0.00180 Fe2+1 0.01240 0.01660 0.00750 -0.00040 0.00080 -0.00170 Fe3+1 0.01240 0.01660 0.00750 -0.00040 0.00080 -0.00170 Mg1 0.01240 0.01660 0.00750 -0.00040 0.00080 -0.00170 Fe3+2 0.00940 0.01100 0.00610 -0.00010 -0.00040 0.00020 Mg2 0.00940 0.01100 0.00610 -0.00010 -0.00040 0.00020 Fe2+3 0.03740 0.01490 0.04120 0.00550 -0.02710 -0.00450 Mg3 0.03740 0.01490 0.04120 0.00550 -0.02710 -0.00450 P1 0.01170 0.01210 0.00820 0.00040 -0.00050 -0.00100 P2 0.01180 0.01370 0.00790 -0.00160 0.00160 0.00000 P3 0.01420 0.01210 0.00840 0.00070 -0.00120 0.00040 O1 0.01200 0.01800 0.01100 0.00300 -0.00100 -0.00200 O2 0.01700 0.01400 0.01300 -0.00100 -0.00200 0.00400 O3 0.01200 0.02000 0.00700 0.00300 0.00000 -0.00100 O4 0.01300 0.01600 0.00600 0.00100 0.00000 -0.00200 O5 0.01400 0.01400 0.00700 0.00000 0.00300 0.00000 O6 0.01300 0.01600 0.00800 0.00100 0.00100 0.00300 O7 0.01900 0.01400 0.01600 -0.00100 0.00400 -0.00200 O8 0.01300 0.01700 0.01000 0.00300 0.00000 0.00100 O9 0.01800 0.01500 0.01200 0.00000 0.00300 -0.00100 O10 0.01800 0.01600 0.01000 -0.00200 0.00400 0.00400 O11 0.01500 0.01400 0.00800 0.00000 -0.00200 0.00000 O12 0.02100 0.01300 0.01200 0.00000 -0.00500 -0.00100 Ow 0.02400 0.01700 0.02600 0.00600 0.00500 -0.00100