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_cell_length_a 8.2610(7) _cell_length_b 6.0554(5) _cell_length_c 12.0183(10) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 601.20(9) _cell_formula_units_Z 6 |
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*data for ICSD #36026 Coll Code 36026 Rec Date 1980/01/01 Mod Date 1997/11/10 Chem Name Tricopper Sulfate Tetrahydroxide Structured Cu3 (S O4) (O H)4 Sum H4 Cu3 O8 S1 ANX AB3X8 Min Name Antlerite D(calc) 3.96 Title The Crystal Structure of Antlerite Author(s) Araki, T. Reference Mineralogical Journal (Japan) (1961), 3, 223-235 Unit Cell 8.23(2) 12.00(2) 6.03(1) 90. 90. 90. Vol 595.52 Z 4 Space Group P n a m SG Number 62 Cryst Sys orthorhombic Pearson oP64 Wyckoff d3 c6 Red Cell P 6.03 8.23 12 90 90 90 595.523 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments Compound with mineral name: Antlerite The structure has been assigned a PDF number: 7-407 No R value given in the paper. At least one temperature factor missing in the paper. Position of 16 Elements of H Are Undetermined. Atom # OX SITE x y z SOF H Cu 1 +2 4 c 0.004 0.002 0.25 1. 0 Cu 2 +2 8 d 0.29 0.125 0.005 1. 0 S 1 +6 4 c 0.13 0.362 0.25 1. 0 O 1 -2 4 c 0.258 0.273 0.25 1. 0 O 2 -2 4 c 0.203 0.475 0.25 1. 0 O 3 -2 8 d 0.025 0.346 0.046 1. 0 O 4 -2 4 c 0.283 0.017 0.25 1. H1 O 5 -2 4 c 0.685 0.775 0.25 1. H1 O 6 -2 8 d 0.053 0.104 0.516 1. H1 *end for ICSD #36026 |
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