data_global _chemical_name_mineral 'Schlegelite' loop_ _publ_author_name 'Krause W' 'Bernhardt N J' 'Effenberger H' _journal_name_full 'European Journal of Mineralogy' _journal_volume 18 _journal_year 2006 _journal_page_first 803 _journal_page_last 811 _publ_section_title ; Schlegelite, Bi7O4(MoO4)2(AsO4)3, a new mineral from Schneeberg, Saxony, Germany ; _database_code_amcsd 0007187 _chemical_compound_source 'Pucher Richtschacht, Schneeberg, Saxony, Germany' _chemical_formula_sum 'Bi7 (Mo1.78 P.16 V.06) As3 O24' _cell_length_a 5.299 _cell_length_b 16.133 _cell_length_c 23.948 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2047.285 _exptl_crystal_density_diffrn 7.301 _symmetry_space_group_name_H-M 'P n c a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,-z' '1/2-x,-y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-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 Bi1 0.25000 0.00000 0.82100 1.00000 0.02590 Bi2 0.20136 0.17526 0.31301 1.00000 0.02380 Bi3 0.30289 0.16056 0.56105 1.00000 0.02130 Bi4 0.25882 0.32375 0.44420 1.00000 0.02140 Mo1 0.25000 0.00000 0.07488 0.89000 0.01720 PMo1 0.25000 0.00000 0.07488 0.08000 0.01720 VMo1 0.25000 0.00000 0.07488 0.03000 0.01720 Mo2 0.25000 0.00000 0.67760 0.89000 0.01900 PMo2 0.25000 0.00000 0.67760 0.08000 0.01900 VMo2 0.25000 0.00000 0.67760 0.03000 0.01900 As3 0.25000 0.00000 0.42911 1.00000 0.01650 As4 0.25090 0.16929 0.17204 1.00000 0.01790 O11 0.14600 -0.07850 0.03120 1.00000 0.03000 O12 -0.02500 0.04810 0.10720 1.00000 0.02500 O21 0.02900 0.03830 0.72510 1.00000 0.02500 O22 0.40000 0.10080 0.65530 1.00000 0.02300 O31 0.02500 -0.04730 0.38990 1.00000 0.03100 O32 0.38300 -0.07430 0.46950 1.00000 0.02400 O41 0.42000 0.23370 0.21390 1.00000 0.02600 O42 0.45200 0.10130 0.14380 1.00000 0.03200 O43 0.04700 0.12610 0.21660 1.00000 0.03100 O44 0.10200 0.22490 0.12310 1.00000 0.02200 O1 0.49500 0.24810 0.49800 1.00000 0.02100 O2 0.11600 0.22310 0.39720 1.00000 0.02200 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 Bi1 0.02630 0.03330 0.01810 0.00000 0.00000 0.00490 Bi2 0.02310 0.02570 0.02270 -0.00230 0.00310 -0.00200 Bi3 0.01810 0.02400 0.02160 -0.00210 0.00110 -0.00170 Bi4 0.02280 0.02150 0.01990 0.00020 -0.00150 -0.00170 Mo1 0.01530 0.01780 0.01860 0.00000 0.00000 0.00010 PMo1 0.01530 0.01780 0.01860 0.00000 0.00000 0.00010 VMo1 0.01530 0.01780 0.01860 0.00000 0.00000 0.00010 Mo2 0.02160 0.01730 0.01810 0.00000 0.00000 -0.00310 PMo2 0.02160 0.01730 0.01810 0.00000 0.00000 -0.00310 VMo2 0.02160 0.01730 0.01810 0.00000 0.00000 -0.00310 As3 0.01730 0.01670 0.01560 0.00000 0.00000 -0.00400 As4 0.01940 0.01950 0.01490 0.00090 0.00160 0.00450 O11 0.03100 0.03000 0.03000 -0.00300 0.00400 -0.00300 O12 0.02800 0.01800 0.02800 0.00500 0.01000 -0.00400 O21 0.02400 0.02100 0.03000 0.00400 -0.00400 0.00500 O22 0.02300 0.02500 0.01900 0.00200 -0.00700 -0.01200 O31 0.04000 0.02700 0.02600 0.00600 -0.01400 -0.01300 O32 0.02600 0.03000 0.01600 -0.00200 -0.00300 0.01120 O41 0.02800 0.03800 0.01300 0.00100 0.00400 -0.01200 O42 0.04000 0.03800 0.01700 -0.00200 0.00200 0.02000 O43 0.04600 0.02600 0.02100 0.00000 0.01000 -0.01100 O44 0.02500 0.01400 0.02600 0.00500 -0.01200 0.00000 O1 0.01900 0.03000 0.01400 0.00300 0.00200 0.00100 O2 0.02400 0.02400 0.01700 -0.00300 0.00900 -0.00700