data_global _chemical_name_mineral 'Vonbezingite' loop_ _publ_author_name 'Dai Y S' 'Harlow G E' _journal_name_full 'American Mineralogist' _journal_volume 77 _journal_year 1992 _journal_page_first 1292 _journal_page_last 1300 _publ_section_title ; Description and crystal structure of vonbezingite, a new Ca-Cu-SO4-H2O mineral from the Kalahari manganese field, South Africa ; _database_code_amcsd 0001543 _chemical_compound_source 'Wessels mine, South Africa' _chemical_formula_sum 'Cu3 Ca6 S3 O26' _cell_length_a 15.122 _cell_length_b 14.358 _cell_length_c 22.063 _cell_angle_alpha 90 _cell_angle_beta 108.68 _cell_angle_gamma 90 _cell_volume 4538.010 _exptl_crystal_density_diffrn 2.761 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-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_U_iso_or_equiv Cu1A 0.25560 0.87860 0.50250 0.01340 Cu1B 0.75550 0.62510 0.50360 0.01250 Cu2A 0.19280 0.54000 0.74700 0.01490 Cu2B 0.82210 0.96480 0.25360 0.01610 Cu2C 0.69340 0.79200 0.74750 0.01180 Cu2D 0.32310 0.71890 0.25410 0.01060 Ca1A 0.66220 0.69220 0.60790 0.01600 Ca1B 0.35090 0.81200 0.39670 0.01500 Ca1C 0.15810 0.93790 0.60890 0.01900 Ca1D -0.15500 0.55820 0.39420 0.01900 Ca2A 0.44810 0.86320 0.64590 0.01800 Ca2B 0.55570 0.86220 0.85500 0.01700 Ca2C -0.05150 0.88550 0.14660 0.01700 Ca2D 0.05580 0.88860 0.35520 0.01700 Ca3A 0.23100 0.69130 0.61280 0.01600 Ca3B 0.77920 0.80490 0.38680 0.01300 Ca3C 0.72840 0.94380 0.61130 0.02200 Ca3D 0.27130 0.55940 0.38610 0.02200 S1A 0.90500 0.92820 0.53350 0.01000 S1B 0.10050 0.57400 0.46430 0.01100 S1C 0.40480 0.67640 0.53340 0.01100 S1D 0.60130 0.82010 0.46770 0.01000 S2A 0.49160 0.01450 0.75060 0.00500 S2B 0.00290 0.73550 0.25220 0.01800 O1A 0.75050 0.81400 0.68100 0.02800 O1B 0.26640 0.69180 0.32090 0.03200 O1C 0.77080 0.93440 0.32180 0.04000 O1D 0.23990 0.56110 0.67680 0.04700 O2A 0.33350 0.94010 0.46350 0.03000 O2B 0.67480 0.56420 0.54170 0.03100 O2C 0.17360 0.80620 0.53930 0.04100 O2D 0.83680 0.69380 0.46470 0.03900 O3A 0.58320 0.76190 0.67760 0.03100 O3B 0.43100 0.75630 0.32390 0.04100 O3C 0.06580 0.99530 0.67610 0.03400 O3D -0.07440 0.48840 0.32130 0.03800 O4A 0.20510 0.82100 0.41830 0.03500 O4B 0.80790 0.68690 0.58750 0.03500 O4C 0.30780 0.93810 0.58610 0.03900 O4D -0.30060 0.56760 0.42020 0.03700 O5A 0.30490 0.93660 0.31720 0.03500 O5B 0.70950 0.56650 0.68520 0.03900 O5C 0.20890 0.80950 0.68200 0.03200 O5D 0.80650 0.68370 0.32050 0.03600 O6A 0.86600 0.00850 0.69010 0.04900 O6B 0.12550 0.50480 0.31170 0.04600 O6C 0.37020 0.74430 0.68350 0.02500 O6D 0.64110 0.74280 0.31550 0.02600 O7A 0.46200 0.55350 0.41580 0.04900 O7B 0.47250 0.06090 0.42320 0.03200 O7C 0.03460 0.69600 0.58810 0.05600 O7D 0.96640 0.80100 0.40750 0.04100 O8A 0.99640 0.88100 0.55070 0.05400 O8B 0.00720 0.61830 0.44340 0.05400 O8C 0.51030 0.87290 0.44920 0.03300 O8D 0.49860 0.63170 0.55810 0.03100 O9A 0.84620 0.89170 0.56660 0.03600 O9B 0.16070 0.61500 0.43460 0.03900 O9C 0.66440 0.86700 0.43670 0.04200 O9D 0.33810 0.62470 0.55860 0.03300 O10A 0.86470 0.92280 0.46010 0.03300 O10B 0.13580 0.58000 0.53840 0.03600 O10C 0.64630 0.82500 0.53510 0.03600 O10D 0.37130 0.66800 0.46580 0.04000 O11A 0.08380 0.97090 0.45160 0.02700 O11B 0.09180 0.47320 0.44850 0.02600 O11C 0.41140 0.77400 0.55080 0.05800 O11D 0.58250 0.72380 0.44890 0.05700 O12A 0.44190 0.57520 0.25120 0.04200 O12B 0.94470 0.81950 0.25090 0.04200 O13A 0.51620 0.01700 0.69200 0.05000 O13B 0.02580 0.73490 0.19230 0.05300 O14A 0.08630 0.74200 0.30800 0.05300 O14B 0.42570 0.51410 0.69230 0.04600 O15A 0.56780 0.90650 0.24640 0.05200 O15B 0.95060 0.84960 0.75560 0.06400