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