data_global _chemical_name_mineral 'Tangdanite' loop_ _publ_author_name 'Ma Z' 'Li G' 'Chukanov N V' 'Poirier G' 'Shi N' _journal_name_full 'Mineralogical Magazine' _journal_volume 78 _journal_year 2014 _journal_page_first 559 _journal_page_last 569 _publ_section_title ; Tangdanite, a new mineral species from the Yunnan Province, China and the discreditation of 'clinotyrolite' ; _database_code_amcsd 0020184 _chemical_compound_source 'Nanniping mine, Dongchuan district, Yunnan Province, China' _chemical_formula_sum 'Ca2 Cu9 As4 S.52 O37.18 H24.96' _cell_length_a 54.490 _cell_length_b 5.5685 _cell_length_c 10.4690 _cell_angle_alpha 90 _cell_angle_beta 96.294 _cell_angle_gamma 90 _cell_volume 3157.436 _exptl_crystal_density_diffrn 3.342 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca1 0.17592 0.25140 0.17650 1.00000 Cu1 0.00000 0.00000 0.00000 1.00000 Cu2 0.02611 0.53590 -0.04680 1.00000 Cu3 0.07192 0.18160 0.11770 1.00000 Cu4 0.11869 0.46840 0.25450 1.00000 Cu5 0.11907 0.16660 -0.00390 1.00000 As1 0.06795 -0.28160 0.30673 1.00000 As2 0.15464 0.69850 0.00310 1.00000 S1 0.23530 0.15100 0.04000 0.26000 O-H1 0.01500 0.84600 -0.14920 1.00000 O-H2 0.00940 0.70200 0.08020 1.00000 O-H3 0.03790 0.27100 0.06950 1.00000 O4 0.06280 0.01000 0.27050 1.00000 O5 0.04030 -0.41900 0.30540 1.00000 O6 0.08400 -0.29100 0.45610 1.00000 O7 0.08430 -0.42800 0.20290 1.00000 Wat8 0.06580 -0.20600 0.00800 0.57000 O9 0.10760 0.15500 0.16690 1.00000 Wat10 0.09770 -0.21400 -0.04800 0.67000 O-H11 0.12640 0.21300 -0.17810 1.00000 O12 0.13720 0.50200 0.07440 1.00000 O13 0.15060 0.98400 0.04680 1.00000 O14 0.14970 0.67900 -0.16360 1.00000 O15 0.18400 0.61900 0.05610 1.00000 Wat16 0.20640 0.40300 0.33880 1.00000 Wat17 0.18320 -0.11200 0.30100 1.00000 Wat18 0.20950 0.11800 0.06000 1.00000 O19 0.24680 -0.05000 0.13800 0.49000 O20 0.25020 0.11100 -0.09100 0.86000 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 Ca1 0.03400 0.02200 0.02100 0.00000 0.00370 0.00140 Cu1 0.04200 0.01700 0.01320 0.00720 0.00580 -0.00020 Cu2 0.03370 0.01440 0.01070 0.00310 0.00580 0.00090 Cu3 0.02820 0.01950 0.01410 0.00140 0.00410 0.00550 Cu4 0.02470 0.01690 0.02170 0.00170 0.00120 -0.00260 Cu5 0.02730 0.01940 0.01400 0.00090 0.00300 -0.00070 As1 0.02560 0.01500 0.01200 0.00000 0.00250 -0.00010 As2 0.02890 0.01670 0.01550 -0.00140 0.00320 0.00100 S1 0.10000 0.02800 0.04000 0.02200 0.01200 0.02200 O-H1 0.03500 0.02200 0.00800 0.00200 0.00200 -0.00500 O-H2 0.03100 0.02200 0.00800 0.00300 0.00600 -0.00200 O-H3 0.01900 0.03400 0.00900 0.00100 0.00600 0.00400 O4 0.03500 0.01600 0.02400 -0.00100 0.00900 0.00700 O5 0.03400 0.03500 0.00700 -0.00100 0.00300 0.00400 O6 0.03000 0.02000 0.01900 0.00400 0.00900 0.00200 O7 0.02100 0.02000 0.03500 -0.00500 0.01000 -0.00900 Wat8 0.08000 0.04000 0.09000 0.03000 0.02000 0.01000 O9 0.02600 0.02200 0.00700 0.00000 0.00600 -0.00500 Wat10 0.07000 0.05000 0.06000 0.00800 -0.01400 -0.00800 O-H11 0.03900 0.01600 0.00900 0.00100 0.01200 0.00100 O12 0.05500 0.01800 0.03200 -0.01500 0.02100 -0.00900 O13 0.01500 0.02900 0.02600 -0.00300 -0.00100 -0.00300 O14 0.02600 0.04300 0.00800 -0.00200 -0.00100 0.00200 O15 0.03900 0.03500 0.02200 0.00300 0.00400 -0.01400 Wat16 0.04700 0.05700 0.02600 -0.01200 0.00100 -0.00300 Wat17 0.05500 0.03900 0.04900 0.01100 0.00600 0.00700 Wat18 0.06100 0.10000 0.11000 0.01700 0.02100 -0.03000 O19 0.14000 0.47000 0.05000 -0.15000 -0.02000 0.03000 O20 0.11000 0.31000 0.57000 -0.04000 -0.09000 -0.02000