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: 1 ; _database_code_amcsd 0006138 _chemical_compound_source 'Larsemann Hills, Prydz Bay, East Antarctica' _chemical_formula_sum 'Na.478 Ca2 Fe3.254 Mg2.746 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 3.409 _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 0.47800 0.05308 Ca 0.23844 0.00149 0.37483 1.00000 0.01290 Fe2+1 0.15155 -0.23132 0.20766 0.22300 0.01170 Fe3+1 0.15155 -0.23132 0.20766 0.09200 0.01170 Mg1 0.15155 -0.23132 0.20766 0.68500 0.01170 Fe3+2 0.16782 0.22709 0.54179 0.66900 0.00822 Mg2 0.16782 0.22709 0.54179 0.33100 0.00822 Fe2+3 0.01822 -0.46034 0.27704 0.64300 0.03086 Mg3 0.01822 -0.46034 0.27704 0.35700 0.03086 P1 0.10937 0.22868 0.79962 1.00000 0.00958 P2 0.40113 0.24103 0.44380 1.00000 0.00980 P3 0.26529 -0.02303 0.62459 1.00000 0.01070 O1 0.00278 0.28730 0.77247 1.00000 0.01395 O2 0.09068 0.10518 0.83611 1.00000 0.01461 O3 0.18127 0.22479 0.70143 1.00000 0.01318 O4 0.16552 0.30075 0.88474 1.00000 0.01122 O5 0.33531 0.24221 0.54581 1.00000 0.01229 O6 0.15261 -0.18229 0.36156 1.00000 0.01375 O7 0.40857 0.11522 0.40582 1.00000 0.01614 O8 0.01239 0.20647 0.53392 1.00000 0.01455 O9 0.19080 -0.41745 0.20435 1.00000 0.01336 O10 0.14893 -0.04136 0.18903 1.00000 0.01604 O11 0.19836 0.05556 0.55213 1.00000 0.01297 O12 0.17464 0.39631 0.54881 1.00000 0.01594 OW 0.02662 0.00935 0.37877 1.00000 0.02144 H1 -0.00500 -0.06100 0.40300 1.00000 0.16000 H2 0.00500 0.08600 0.42000 1.00000 0.08000 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 0.03602 0.06414 0.05908 -0.01687 0.00691 0.03171 Ca 0.01465 0.01179 0.01225 -0.00097 0.00143 -0.00160 Fe2+1 0.00984 0.01496 0.01029 -0.00062 0.00064 -0.00190 Fe3+1 0.00984 0.01496 0.01029 -0.00062 0.00064 -0.00190 Mg1 0.00984 0.01496 0.01029 -0.00062 0.00064 -0.00190 Fe3+2 0.00796 0.00837 0.00833 -0.00014 -0.00047 0.00010 Mg2 0.00796 0.00837 0.00833 -0.00014 -0.00047 0.00010 Fe2+3 0.03538 0.01262 0.04458 0.00524 -0.02819 -0.00448 Mg3 0.03538 0.01262 0.04458 0.00524 -0.02819 -0.00448 P1 0.00898 0.00994 0.00980 0.00018 -0.00042 -0.00047 P2 0.00977 0.01097 0.00865 -0.00072 0.00089 -0.00049 P3 0.01262 0.00946 0.01003 0.00036 -0.00078 -0.00016 O1 0.01093 0.01465 0.01627 0.00335 -0.00217 -0.00122 O2 0.01459 0.01219 0.01703 -0.00080 -0.00064 0.00208 O3 0.01074 0.01769 0.01110 -0.00065 0.00041 -0.00131 O4 0.01150 0.01155 0.01061 -0.00073 -0.00096 -0.00277 O5 0.01170 0.01436 0.01081 0.00000 0.00166 0.00021 O6 0.01335 0.01479 0.01311 -0.00068 0.00001 0.00058 O7 0.02001 0.01304 0.01537 -0.00250 0.00380 -0.00311 O8 0.01201 0.01530 0.01634 0.00240 0.00079 -0.00060 O9 0.01453 0.01236 0.01319 0.00086 0.00075 -0.00180 O10 0.01580 0.01389 0.01842 -0.00184 0.00529 0.00030 O11 0.01541 0.01027 0.01322 -0.00133 -0.00203 0.00075 O12 0.01806 0.01344 0.01632 0.00135 -0.00533 -0.00124 OW 0.01964 0.01669 0.02799 0.00114 0.00374 0.00363