data_global _chemical_name_mineral 'Birchite' loop_ _publ_author_name 'Elliot P' 'Brugger J' 'Pring A' 'Cole M L' 'Willis A C' 'Kolitsch U' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 910 _journal_page_last 917 _publ_section_title ; Birchite, a new mineral from Broken Hill, New South Wales, Australia: Description and structure refinement ; _database_code_amcsd 0004585 _chemical_compound_source 'Block 14 Opencut, Broken Hill, New South Wales, Australia' _chemical_formula_sum 'Cd2 Cu2 P2 S O17 H10' _cell_length_a 10.4768 _cell_length_b 20.8938 _cell_length_c 6.1640 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1349.301 _exptl_crystal_density_diffrn 3.584 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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 Cd 0.90709 0.60270 0.54392 0.02370 Cu 0.10856 0.56327 0.12074 0.01920 P 0.17350 0.54334 0.63330 0.01630 S 0.94680 0.75000 0.75960 0.02390 O1 0.98800 0.75000 0.98520 0.03400 O2 0.80660 0.75000 0.74900 0.02400 O3 0.99990 0.69260 0.64910 0.03800 O4 0.28880 0.58650 0.65740 0.02020 O5 0.07640 0.54890 0.81750 0.01960 O6 0.21810 0.47290 0.60990 0.01910 O7 0.09250 0.56170 0.42980 0.01920 Wat1 0.95030 0.62110 0.14180 0.02180 Wat2 0.22120 0.65930 0.05930 0.02110 Wat3 0.69470 0.75000 0.13850 0.03000 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 Cd 0.02520 0.02430 0.02160 -0.00240 0.00280 -0.00070 Cu 0.02310 0.02320 0.01130 -0.00050 -0.00010 0.00420 P 0.02010 0.01770 0.01110 -0.00120 0.00020 0.00140 S 0.02700 0.02100 0.02400 0.00000 0.00030 0.00000 O1 0.02900 0.04400 0.02800 0.00000 -0.01700 0.00000 O2 0.02900 0.02600 0.01700 0.00000 -0.00400 0.00000 O3 0.03100 0.03300 0.05200 -0.01500 0.01000 0.00200 O4 0.02200 0.01900 0.02000 -0.00800 0.00100 -0.00400 O5 0.01600 0.03200 0.01000 -0.00800 0.00200 0.00400 O6 0.02200 0.01800 0.01700 -0.00300 0.00000 0.00800 O7 0.02200 0.02700 0.00900 0.00300 -0.00400 0.00400 Wat1 0.03100 0.01900 0.01500 -0.00300 -0.00400 0.00400 Wat2 0.01700 0.02000 0.02600 0.00700 -0.00100 0.00100 Wat3 0.02800 0.04000 0.02300 0.00000 0.00100 0.00000