data_global _chemical_name_mineral 'Hatertite' loop_ _publ_author_name 'Krivovichev S V' 'Vergasova L P' 'Filatov S K' 'rybin D S' 'Britvin S N' 'Ananiev V V' _journal_name_full 'European Journal of Mineralogy' _journal_volume 25 _journal_year 2013 _journal_page_first 683 _journal_page_last 691 _publ_section_title ; Hatertite, Na2(Ca,Na)(Fe3+,Cu)2(AsO4)3, a new alluaudite-group mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia ; _database_code_amcsd 0020029 _chemical_compound_source 'Tolbachik fumaroles, Kamchatka peninsula, Russia' _chemical_formula_sum 'Na1.69 Ca.73 K.3 Mn.13 (Fe.9 Cu.4 Al.38 Zn.32) As3 O12' _cell_length_a 12.640 _cell_length_b 13.007 _cell_length_c 6.700 _cell_angle_alpha 90 _cell_angle_beta 113.828 _cell_angle_gamma 90 _cell_volume 1007.644 _exptl_crystal_density_diffrn 4.025 _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 NaA(1) 0.50000 0.00000 0.00000 0.87000 0.03210 CaA(1) 0.50000 0.00000 0.00000 0.13000 0.03210 NaA(2) 0.00000 -0.00800 0.25000 0.55000 0.04660 KA(2) 0.00000 -0.00800 0.25000 0.30000 0.04660 CaM(1) 0.00000 0.26401 0.25000 0.60000 0.02190 NaM(1) 0.00000 0.26401 0.25000 0.27000 0.02190 MnM(1) 0.00000 0.26401 0.25000 0.13000 0.02190 Fe3+M(2) 0.27324 0.65670 0.35841 0.45000 0.01470 CuM(2) 0.27324 0.65670 0.35841 0.20000 0.01470 AlM(2) 0.27324 0.65670 0.35841 0.19000 0.01470 ZnM(2) 0.27324 0.65670 0.35841 0.16000 0.01470 AsT(1) 0.00000 -0.27594 0.25000 1.00000 0.01660 AsT(2) 0.24467 -0.10591 0.13632 1.00000 0.01722 O(1) 0.44760 0.70070 0.52590 1.00000 0.02080 O(2) 0.09710 0.64470 0.22110 1.00000 0.03080 O(3) 0.32620 0.66610 0.10440 1.00000 0.02350 O(4) 0.11610 0.40830 0.30610 1.00000 0.02350 O(5) 0.23060 0.82000 0.33330 1.00000 0.02140 O(6) 0.31870 0.50720 0.37320 1.00000 0.03220 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 NaA(1) 0.03940 0.01890 0.02050 -0.00420 -0.00610 0.00300 CaA(1) 0.03940 0.01890 0.02050 -0.00420 -0.00610 0.00300 NaA(2) 0.02170 0.04700 0.05200 0.00000 -0.00490 0.00000 KA(2) 0.02170 0.04700 0.05200 0.00000 -0.00490 0.00000 CaM(1) 0.02390 0.01800 0.02840 0.00000 0.01540 0.00000 NaM(1) 0.02390 0.01800 0.02840 0.00000 0.01540 0.00000 MnM(1) 0.02390 0.01800 0.02840 0.00000 0.01540 0.00000 Fe3+M(2) 0.01620 0.01480 0.01300 0.00060 0.00580 -0.00040 CuM(2) 0.01620 0.01480 0.01300 0.00060 0.00580 -0.00040 AlM(2) 0.01620 0.01480 0.01300 0.00060 0.00580 -0.00040 ZnM(2) 0.01620 0.01480 0.01300 0.00060 0.00580 -0.00040 AsT(1) 0.02210 0.01490 0.01020 0.00000 0.00380 0.00000 AsT(2) 0.02280 0.01460 0.01160 0.00210 0.00430 0.00060 O(1) 0.02700 0.02400 0.01070 0.00000 0.00660 -0.00490 O(2) 0.03300 0.02400 0.03400 0.00250 0.01300 -0.01360 O(3) 0.03200 0.01600 0.01600 -0.00530 0.00380 -0.00150 O(4) 0.02700 0.02300 0.01930 0.00520 0.00870 0.00610 O(5) 0.03100 0.02200 0.01590 0.00180 0.01440 0.00350 O(6) 0.04400 0.02400 0.02600 -0.01780 0.01100 -0.00050