data_global _chemical_name_mineral 'Nyholmite' loop_ _publ_author_name 'Elliott P' 'Turner P' 'Jensen P' 'Kolitsch U' 'Pring A' _journal_name_full 'Mineralogical Magazine' _journal_volume 73 _journal_year 2009 _journal_page_first 723 _journal_page_last 735 _publ_section_title ; Description and crystal structure of nyholmite, a new mineral related to hureaulite, from Broken Hill,New South Wales, Australia ; _database_code_amcsd 0014593 _chemical_compound_source 'Broken Hill, New South Wales, Australia' _chemical_formula_sum 'Cd2.89 Zn1.05 Cu.44 Mn.52 Al.04 Ca.02 Pb.04 (As2.98 P1.02) O20 H10' _cell_length_a 18.062 _cell_length_b 9.341 _cell_length_c 9.844 _cell_angle_alpha 90 _cell_angle_beta 96.17 _cell_angle_gamma 90 _cell_volume 1651.231 _exptl_crystal_density_diffrn 4.204 _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 _atom_site_U_iso_or_equiv CdM1 0.00000 -0.10841 0.25000 0.73000 0.01560 ZnM1 0.00000 -0.10841 0.25000 0.27000 0.01560 ZnM2 0.31675 0.08527 0.68608 0.31000 0.01820 CuM2 0.31675 0.08527 0.68608 0.22000 0.01820 CdM2 0.31675 0.08527 0.68608 0.19000 0.01820 MnM2 0.31675 0.08527 0.68608 0.26000 0.01820 AlM2 0.31675 0.08527 0.68608 0.02000 0.01820 CdM3 0.17497 0.02916 0.36559 0.89000 0.01732 ZnM3 0.17497 0.02916 0.36559 0.08000 0.01732 CaM3 0.17497 0.02916 0.36559 0.01000 0.01732 PbM3 0.17497 0.02916 0.36559 0.02000 0.01732 AsT1 0.08304 0.18435 0.08981 0.66000 0.01300 PT1 0.08304 0.18435 0.08981 0.34000 0.01300 AsT2 0.16130 0.26692 0.62387 0.83000 0.01330 PT2 0.16130 0.26692 0.62387 0.17000 0.01330 O1 0.15890 0.27390 0.13560 1.00000 0.02570 O-H2 0.01090 0.29640 0.07910 1.00000 0.03100 O3 0.07550 0.06630 0.20900 1.00000 0.02700 O4 0.08400 0.11110 -0.06150 1.00000 0.02600 O5 0.16560 0.24900 0.45410 1.00000 0.02320 O6 0.07250 0.27490 0.65570 1.00000 0.02410 O7 0.20540 0.41600 0.67790 1.00000 0.02160 O8 0.20480 0.12810 0.70230 1.00000 0.02470 Wat9 0.41760 -0.00330 0.66130 1.00000 0.03640 Wat10 0.26040 -0.08410 0.53230 1.00000 0.02400 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 CdM1 0.01640 0.01070 0.01940 0.00000 0.00060 0.00000 ZnM1 0.01640 0.01070 0.01940 0.00000 0.00060 0.00000 ZnM2 0.02150 0.01090 0.02190 -0.00040 0.00080 0.00340 CuM2 0.02150 0.01090 0.02190 -0.00040 0.00080 0.00340 CdM2 0.02150 0.01090 0.02190 -0.00040 0.00080 0.00340 MnM2 0.02150 0.01090 0.02190 -0.00040 0.00080 0.00340 AlM2 0.02150 0.01090 0.02190 -0.00040 0.00080 0.00340 CdM3 0.01800 0.01250 0.02150 -0.00115 0.00223 -0.00237 ZnM3 0.01800 0.01250 0.02150 -0.00115 0.00223 -0.00237 CaM3 0.01800 0.01250 0.02150 -0.00115 0.00223 -0.00237 PbM3 0.01800 0.01250 0.02150 -0.00115 0.00223 -0.00237 AsT1 0.01460 0.00940 0.01480 0.00150 0.00060 -0.00090 PT1 0.01460 0.00940 0.01480 0.00150 0.00060 -0.00090 AsT2 0.01490 0.00700 0.01720 0.00044 -0.00120 -0.00037 PT2 0.01490 0.00700 0.01720 0.00044 -0.00120 -0.00037 O1 0.02400 0.02600 0.02700 -0.00440 0.00060 -0.00250 O-H2 0.03500 0.02900 0.02800 0.00800 -0.00150 -0.00860 O3 0.02500 0.02200 0.03400 -0.00360 0.00090 0.00810 O4 0.02400 0.02900 0.02400 0.01020 0.00190 -0.00450 O5 0.02900 0.01840 0.02100 0.00140 -0.00230 -0.00390 O6 0.02050 0.01740 0.03300 0.00000 -0.00070 -0.00200 O7 0.01930 0.01590 0.03100 -0.00190 0.00840 -0.00250 O8 0.02400 0.01430 0.03600 0.00170 0.00510 0.00760 Wat9 0.03300 0.03100 0.04500 -0.00800 0.00300 0.01500 Wat10 0.02600 0.02200 0.02500 0.00210 0.00770 0.00460