data_global _chemical_name_mineral 'Petewilliamsite' loop_ _publ_author_name 'Roberts A C' 'Burns P C' 'Gault R A' 'Criddle A J' 'Feinglos M N' _journal_name_full 'Mineralogical Magazine' _journal_volume 68 _journal_year 2004 _journal_page_first 231 _journal_page_last 240 _publ_section_title ; Petewilliamsite, (Ni,Co)30(As2O7)15, a new mineral from Johanngeorgenstadt, Saxony, Germany: description and crystal structure ; _database_code_amcsd 0014571 _chemical_compound_source 'Johanngeorgenstadt, Saxony, Germany' _chemical_formula_sum '(Ni4.7 Co4.5 Cu.8) As10 O35' _cell_length_a 33.256 _cell_length_b 8.482 _cell_length_c 14.191 _cell_angle_alpha 90 _cell_angle_beta 104.145 _cell_angle_gamma 90 _cell_volume 3881.592 _exptl_crystal_density_diffrn 4.880 _symmetry_space_group_name_H-M 'C 1 2 1' 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 NiM1 0.00000 0.01150 0.00000 0.47000 0.00800 CoM1 0.00000 0.01150 0.00000 0.45000 0.00800 CuM1 0.00000 0.01150 0.00000 0.08000 0.00800 NiM2 0.00000 -0.61310 0.00000 0.47000 0.05700 CoM2 0.00000 -0.61310 0.00000 0.45000 0.05700 CuM2 0.00000 -0.61310 0.00000 0.08000 0.05700 NiM3 0.29880 -0.48840 0.33480 0.47000 0.00800 CoM3 0.29880 -0.48840 0.33480 0.45000 0.00800 CuM3 0.29880 -0.48840 0.33480 0.08000 0.00800 NiM4 0.39570 0.00960 0.00420 0.47000 0.01100 CoM4 0.39570 0.00960 0.00420 0.45000 0.01100 CuM4 0.39570 0.00960 0.00420 0.08000 0.01100 NiM5 0.40290 0.01080 -0.66900 0.47000 0.01100 CoM5 0.40290 0.01080 -0.66900 0.45000 0.01100 CuM5 0.40290 0.01080 -0.66900 0.08000 0.01100 NiM6 0.30580 0.50750 -0.33860 0.47000 0.01400 CoM6 0.30580 0.50750 -0.33860 0.45000 0.01400 CuM6 0.30580 0.50750 -0.33860 0.08000 0.01400 NiM7 0.49550 0.50440 -0.32870 0.47000 0.02200 CoM7 0.49550 0.50440 -0.32870 0.45000 0.02200 CuM7 0.49550 0.50440 -0.32870 0.08000 0.02200 NiM8 0.19950 0.00120 0.00020 0.47000 0.03800 CoM8 0.19950 0.00120 0.00020 0.45000 0.03800 CuM8 0.19950 0.00120 0.00020 0.08000 0.03800 NiM9 0.09090 0.50000 0.34520 0.47000 ? CoM9 0.09090 0.50000 0.34520 0.45000 ? CuM9 0.09090 0.50000 0.34520 0.08000 ? NiM10 0.30220 -0.12270 -0.00180 0.47000 0.00700 CoM10 0.30220 -0.12270 -0.00180 0.45000 0.00700 CuM10 0.30220 -0.12270 -0.00180 0.08000 0.00700 NiM11 0.39940 0.37760 -0.33230 0.47000 0.01500 CoM11 0.39940 0.37760 -0.33230 0.45000 0.01500 CuM11 0.39940 0.37760 -0.33230 0.08000 0.01500 NiM12 0.49560 -0.12210 -0.66310 0.47000 0.00800 CoM12 0.49560 -0.12210 -0.66310 0.45000 0.00800 CuM12 0.49560 -0.12210 -0.66310 0.08000 0.00800 NiM13 0.20530 -0.62120 0.32890 0.47000 0.01000 CoM13 0.20530 -0.62120 0.32890 0.45000 0.01000 CuM13 0.20530 -0.62120 0.32890 0.08000 0.01000 NiM14 0.09600 -0.11870 0.00410 0.47000 0.02100 CoM14 0.09600 -0.11870 0.00410 0.45000 0.02100 CuM14 0.09600 -0.11870 0.00410 0.08000 0.02100 NiM15 0.60660 0.38320 -0.34080 0.47000 0.02300 CoM15 0.60660 0.38320 -0.34080 0.45000 0.02300 CuM15 0.60660 0.38320 -0.34080 0.08000 0.02300 NiM16 0.30930 -0.11350 -0.67870 0.47000 0.00200 CoM16 0.30930 -0.11350 -0.67870 0.45000 0.00200 CuM16 0.30930 -0.11350 -0.67870 0.08000 0.00200 As1 0.35580 -0.32400 -0.80270 1.00000 0.00900 As2 0.44300 -0.32350 0.13750 1.00000 0.00700 As3 0.34510 -0.82510 0.46770 1.00000 0.00900 As4 0.04580 -0.32490 0.13310 1.00000 0.01200 As5 0.05440 0.20820 0.19940 1.00000 0.02000 As6 0.24520 -0.29220 0.13480 1.00000 0.01900 As7 0.34330 0.20720 -0.19570 1.00000 0.01900 As8 0.25400 -0.82370 0.20120 1.00000 0.01800 As9 0.24270 -0.32110 0.47150 1.00000 0.01000 As10 0.15730 -0.31550 -0.13860 1.00000 0.01900 As11 -0.04290 0.68130 0.19460 1.00000 0.01600 As12 0.35730 -0.29480 -0.13830 1.00000 0.01900 As13 0.45600 0.20630 -0.46920 1.00000 0.01600 As14 0.35460 -0.29660 0.53210 1.00000 0.02400 As15 0.44500 -0.31240 -0.53230 1.00000 0.02300 O1 0.44560 -0.14400 -0.59600 1.00000 0.02000 O2 -0.07910 0.70300 0.09200 1.00000 0.02000 O3 -0.05050 0.53100 0.26000 1.00000 0.02000 O4 0.42170 0.20400 -0.57800 1.00000 0.02000 O5 0.32140 -0.29200 0.42400 1.00000 0.02000 O6 0.47760 -0.30500 -0.42400 1.00000 0.02000 O7 0.02220 0.20900 0.09000 1.00000 0.02000 O8 0.22220 -0.81100 0.09200 1.00000 0.02000 O9 0.25210 -0.47100 0.40600 1.00000 0.02000 O10 0.37850 0.20000 -0.09100 1.00000 0.02000 O11 0.25620 -0.64700 0.26000 1.00000 0.02000 O12 0.37850 -0.81400 0.57500 1.00000 0.02000 O13 0.44960 0.36100 -0.40100 1.00000 0.02000 O14 0.12070 -0.29500 -0.24000 1.00000 0.02000 O15 0.32130 -0.30800 -0.90900 1.00000 0.02000 O16 0.27920 -0.30100 0.57400 1.00000 0.02000 O17 0.34920 0.36100 -0.26300 1.00000 0.02000 O18 0.35290 -0.46800 0.58900 1.00000 0.02000 O19 0.07890 -0.31200 0.24100 1.00000 0.02000 O20 0.35380 -0.14400 -0.07000 1.00000 0.02000 O21 0.04090 -0.15000 0.07400 1.00000 0.02000 O22 0.33860 -0.65100 0.40800 1.00000 0.02000 O23 0.36450 -0.15300 -0.74200 1.00000 0.02000 O24 0.24920 -0.13500 0.06800 1.00000 0.02000 O25 0.05560 0.03800 0.25600 1.00000 0.02000 O26 0.34530 -0.47700 -0.73700 1.00000 0.02000 O27 0.43380 -0.15300 0.07600 1.00000 0.02000 O28 0.24240 -0.45900 0.07700 1.00000 0.02000 O29 0.05580 0.35500 0.26400 1.00000 0.02000 O30 0.33530 0.05800 -0.24900 1.00000 0.02000 O31 0.35610 -0.98200 0.39900 1.00000 0.02000 O32 0.45500 0.03300 -0.40800 1.00000 0.02000 O33 0.45220 -0.47200 0.07000 1.00000 0.02000 O34 0.15080 -0.46800 -0.07400 1.00000 0.02000 O35 0.23610 -0.15500 0.40600 1.00000 0.02000 O36 0.47850 -0.30800 0.24200 1.00000 0.02000 O37 0.50000 0.23200 0.50000 1.00000 0.02000 O38 0.32140 -0.30500 -0.24200 1.00000 0.02000 O39 0.19490 -0.21500 0.13140 1.00000 0.02000 O40 0.27750 -0.29200 0.24500 1.00000 0.02000 O41 0.39720 -0.39700 0.15600 1.00000 0.02000 O42 0.30090 -0.89400 0.49700 1.00000 0.02000 O43 0.10590 0.21200 0.19900 1.00000 0.02000 O44 0.00000 -0.39500 0.14700 1.00000 0.02000 O45 0.05480 -0.48400 0.06700 1.00000 0.02000 O46 0.24500 -0.98700 0.27200 1.00000 0.02000 O47 0.35240 -0.13000 0.60300 1.00000 0.02000 O48 0.16580 -0.15700 -0.08500 1.00000 0.02000 O49 0.39820 -0.38700 0.47000 1.00000 0.02000 O50 -0.03220 0.83700 0.25100 1.00000 0.02000 O51 0.30130 -0.87100 0.18900 1.00000 0.02000 O52 0.45190 -0.48700 -0.60300 1.00000 0.02000 O53 0.35960 -0.45800 -0.07600 1.00000 0.02000