data_global _chemical_name_mineral 'Alfredstelznerite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' 'Galliski M A' 'Marquez-Zavalia M F' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 129 _journal_page_last 138 _publ_section_title ; The crystal structure of alfredstelznerite, Ca4(H2O)4[B4O4(OH)6]4(H2O)15, a complex hydroxy-hydrated calcium borate mineral ; _database_code_amcsd 0006321 _chemical_compound_source 'Santa Rosa mine, Sijes, Salta, Argentina' _chemical_formula_sum 'Ca4 B16 O59 H62' _cell_length_a 12.161 _cell_length_b 40.477 _cell_length_c 10.1843 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 5013.128 _exptl_crystal_density_diffrn 1.775 _symmetry_space_group_name_H-M 'P c a 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,z' '1/2-x,y,1/2+z' '-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca1 0.62910 0.28603 0.00000 0.00720 Ca2 0.37270 0.25068 0.50360 0.00720 Ca3 0.37510 0.48287 0.47370 0.00720 Ca4 0.37690 0.01816 0.48610 0.00720 B1 0.77190 0.35250 0.15700 0.00630 B2 0.93060 0.33740 0.29200 0.00630 B3 0.78460 0.29400 0.22300 0.00630 B4 0.61320 0.27350 0.33700 0.00630 B5 0.24510 0.18280 0.18200 0.00630 B6 0.41780 0.19680 0.30100 0.00630 B7 0.28250 0.24120 0.22600 0.00630 B8 0.11240 0.26090 0.34100 0.00630 B9 0.24350 0.08690 0.80900 0.00630 B10 0.41240 0.07260 0.69000 0.00630 B11 0.28150 0.02760 0.76300 0.00630 B12 0.11450 0.00490 0.65100 0.00630 B13 0.27700 0.41590 0.82300 0.00630 B14 0.43780 0.43070 0.68300 0.00630 B15 0.28610 0.47410 0.75200 0.00630 B16 0.12040 0.49520 0.63500 0.00630 O1 0.73200 0.32140 0.14680 0.01240 O2 0.85550 0.36160 0.23300 0.01240 O3 0.89390 0.30350 0.26690 0.01240 O4 0.71760 0.28620 0.34050 0.01240 O5 0.23100 0.21410 0.14830 0.01240 O6 0.32700 0.17360 0.26790 0.01240 O7 0.39220 0.23180 0.27130 0.01240 O8 0.21530 0.24880 0.34140 0.01240 O9 0.22750 0.05340 0.84350 0.01240 O10 0.31600 0.09420 0.71170 0.01240 O11 0.38800 0.03760 0.71980 0.01240 O12 0.21680 0.01990 0.64290 0.01240 O13 0.23540 0.44790 0.82790 0.01240 O14 0.36220 0.40690 0.74760 0.01240 O15 0.39650 0.46530 0.70890 0.01240 O16 0.22470 0.48180 0.63120 0.01240 O-H17 0.72210 0.37610 0.07800 0.01240 O-H18 0.93200 0.34190 0.43560 0.01240 O-H19 0.04130 0.34200 0.23420 0.01240 O-H20 0.78600 0.26610 0.13200 0.01240 O-H21 0.55630 0.27140 0.21920 0.01240 O-H22 0.56980 0.26210 0.45100 0.01240 O-H23 0.18080 0.15870 0.12480 0.01240 O-H24 0.43740 0.19550 0.44480 0.01240 O-H25 0.51500 0.18740 0.22930 0.01240 O-H26 0.28860 0.26950 0.13430 0.01240 O-H27 0.05600 0.26380 0.22330 0.01240 O-H28 0.06650 0.27340 0.45370 0.01240 O-H29 0.17270 0.10880 0.86030 0.01240 O-H30 0.51150 0.08270 0.76400 0.01240 O-H31 0.44230 0.07420 0.54510 0.01240 O-H32 0.28350 -0.00180 0.85070 0.01240 O-H33 0.05630 0.00280 0.76710 0.01240 O-H34 0.06180 -0.00580 0.54060 0.01240 O-H35 0.22720 0.39320 0.90790 0.01240 O-H36 0.54910 0.42660 0.72970 0.01240 O-H37 0.43230 0.42590 0.54090 0.01240 O-H38 0.28630 0.50310 0.83800 0.01240 O-H39 0.06200 0.49410 0.75200 0.01240 O-H40 0.06570 0.50560 0.52890 0.01240 Wat41 0.63410 0.22940 -0.04540 0.01240 Wat42 0.38510 0.30950 0.48710 0.01240 Wat43 0.39680 0.54530 0.47490 0.01240 Wat44 0.37270 -0.03790 0.55830 0.01240 Wat45 0.37600 0.36050 0.06600 0.03400 Wat46 0.62200 0.40450 0.40500 0.05900 Wat47 0.76850 0.20720 0.75820 0.02600 Wat48 0.44210 0.18990 0.95700 0.05200 Wat49 0.25540 0.32590 0.26200 0.03900 Wat50 0.70860 0.13540 0.98800 0.04200 Wat51 0.55790 0.11950 0.20000 0.03900 Wat52 0.63540 0.17850 0.57000 0.03400 Wat53 0.52800 0.34630 0.32500 0.09200 Wat54 0.73070 0.44050 0.20480 0.02400 Wat55 0.72960 0.06130 0.73200 0.04100 Wat56 0.44240 0.07940 0.03700 0.05000 Wat57 0.47700 0.42080 0.15800 0.10900 Wat58 0.55920 0.14670 0.79900 0.04300 Wat59 0.63500 0.08920 0.41500 0.06600