data_global _chemical_name_mineral 'Nevadaite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' 'Roberts A C' 'Foord E E' 'Erd R C' 'Evans H T' 'Jensen M C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 42 _journal_year 2004 _journal_page_first 741 _journal_page_last 752 _publ_section_title ; Nevadaite, (Cu,_,Al,V)6[Al8(PO4)8F8](OH)2(H2O)22, a new phosphate mineral from the Gold Quarry Mine, Carlin, Eureka County, Nevada: Description and crystal structure ; _database_code_amcsd 0005936 _chemical_compound_source 'Gold Quarry Mine, Carlin, Eureka County, Nevada, USA' _chemical_formula_sum 'Cu V.5 Al4.5 P4 F4.5 O27.32 H22.14' _cell_length_a 12.123 _cell_length_b 18.999 _cell_length_c 4.9613 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1142.711 _exptl_crystal_density_diffrn 2.555 _symmetry_space_group_name_H-M 'P 21 m n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,-z' 'x,-y,z' '1/2+x,1/2-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 CuM1 0.57740 0.50000 0.28880 0.50000 0.03300 CuM2 0.59340 0.50000 0.72060 0.30000 0.02880 VM2 0.59340 0.50000 0.72060 0.20000 0.02880 CuM3 0.42580 0.00000 0.70980 0.20000 0.00820 VM3 0.42580 0.00000 0.70980 0.30000 0.00820 AlM3 0.42580 0.00000 0.70980 0.50000 0.00820 Al1 0.50000 0.25020 -0.00170 1.00000 0.00740 Al2 0.74900 0.19131 0.26190 1.00000 0.00970 P1 0.51920 0.14670 0.49550 1.00000 0.00880 P2 0.48170 0.35450 0.49600 1.00000 0.00880 F1 0.64640 0.23460 0.05100 1.00000 0.01330 F2 0.85120 0.23600 0.05900 1.00000 0.01330 O1 0.64510 0.14480 0.45000 1.00000 0.01630 O2 0.47530 0.07090 0.45600 1.00000 0.01630 O3 0.45910 0.19610 0.29100 1.00000 0.00930 O4 0.49100 0.17000 0.78800 1.00000 0.01160 O5 0.35700 0.34970 0.53300 1.00000 0.01630 O6 0.52170 0.42950 0.52400 1.00000 0.01630 O7 0.53780 0.30620 0.69700 1.00000 0.00930 O8 0.50920 0.33220 0.21200 1.00000 0.01160 Wat9 0.74960 0.27360 0.49790 1.00000 0.01750 Wat10 0.75820 0.11560 -0.01220 1.00000 0.01750 Wat11 0.64490 0.42440 0.00900 0.80000 0.02770 O-H11 0.64490 0.42440 0.00900 0.10000 0.02770 F11 0.64490 0.42440 0.00900 0.10000 0.02770 Wat12 0.36900 0.06630 0.97500 0.80000 0.02770 O-H12 0.36900 0.06630 0.97500 0.10000 0.02770 F12 0.36900 0.06630 0.97500 0.10000 0.02770 Wat13 0.40400 0.50000 0.00800 1.00000 0.10900 Wat14 0.72250 0.50000 0.52800 0.80000 0.03900 O-H14 0.72250 0.50000 0.52800 0.10000 0.03900 F14 0.72250 0.50000 0.52800 0.10000 0.03900 Wat15 0.59700 0.00000 0.99800 0.62000 0.02200 Wat16 0.54600 0.00000 0.99800 0.38000 0.02200 Wat17 0.70500 0.00000 0.63500 0.26000 0.07500 Wat18 0.76800 0.00000 0.46000 0.56000 0.07500 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 CuM1 0.05500 0.01100 0.03200 0.00000 0.01500 0.00000 CuM2 0.05700 0.00400 0.02500 0.00000 -0.02700 0.00000 VM2 0.05700 0.00400 0.02500 0.00000 -0.02700 0.00000 CuM3 0.01500 0.00500 0.00400 0.00000 0.00600 0.00000 VM3 0.01500 0.00500 0.00400 0.00000 0.00600 0.00000 AlM3 0.01500 0.00500 0.00400 0.00000 0.00600 0.00000 Al1 0.00860 0.00740 0.00630 0.00030 0.00000 0.00000 Al2 0.00690 0.01390 0.00840 0.00100 -0.00100 0.00340 P1 0.00990 0.00840 0.00820 -0.00040 0.00120 0.00110 P2 0.00990 0.00840 0.00820 -0.00040 0.00120 0.00110 F1 0.01060 0.01660 0.01300 -0.00400 0.00300 0.00370 F2 0.01060 0.01660 0.01300 -0.00400 0.00300 0.00370 O1 0.00860 0.02000 0.02100 -0.00050 0.00300 0.00900 O2 0.02800 0.01020 0.01000 -0.00650 -0.00100 -0.00020 O3 0.01090 0.01010 0.00700 0.00310 0.00120 0.00430 O4 0.01570 0.01010 0.00890 -0.00260 0.00280 -0.00210 O5 0.00860 0.02000 0.02100 -0.00050 0.00300 0.00900 O6 0.02800 0.01020 0.01000 -0.00650 -0.00100 -0.00020 O7 0.01090 0.01010 0.00700 0.00310 0.00120 0.00430 O8 0.01570 0.01010 0.00890 -0.00260 0.00280 -0.00210 Wat9 0.01500 0.01930 0.01810 -0.00600 0.00300 -0.00500 Wat10 0.01500 0.01930 0.01810 -0.00600 0.00300 -0.00500 Wat11 0.02700 0.01300 0.04200 0.00300 -0.00100 0.00000 O-H11 0.02700 0.01300 0.04200 0.00300 -0.00100 0.00000 F11 0.02700 0.01300 0.04200 0.00300 -0.00100 0.00000 Wat12 0.02700 0.01300 0.04200 0.00300 -0.00100 0.00000 O-H12 0.02700 0.01300 0.04200 0.00300 -0.00100 0.00000 F12 0.02700 0.01300 0.04200 0.00300 -0.00100 0.00000 Wat13 0.08000 0.08400 0.16000 0.00000 0.00100 0.00000 Wat14 0.04400 0.02500 0.04900 0.00000 -0.00500 0.00000 O-H14 0.04400 0.02500 0.04900 0.00000 -0.00500 0.00000 F14 0.04400 0.02500 0.04900 0.00000 -0.00500 0.00000