data_global
_amcsd_formula_title 'KFe3(AsO4)2(HAsO4)2'
loop_
_publ_author_name
'Schwendtner K'
'Kolitsch U'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 19 
_journal_year 2007
_journal_page_first 399
_journal_page_last 409
_publ_section_title
;
 Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4)
 (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy
;
_database_code_amcsd 0007220
_chemical_formula_sum 'K Fe3 As4 O16 H2'
_cell_length_a 18.975
_cell_length_b 6.5850
_cell_length_c 10.955
_cell_angle_alpha 90
_cell_angle_beta 100.42
_cell_angle_gamma 90
_cell_volume 1346.257
_exptl_crystal_density_diffrn      3.771
_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_U_iso_or_equiv
K   0.00000   0.16102   0.25000   0.02280
Fe1   0.25000   0.75000   0.50000   0.00839
Fe2   0.14899   0.48042   0.22501   0.00839
As1   0.07767   0.66239   0.44770   0.00828
As2   0.30253   0.48144   0.27033   0.00790
O1   0.07989   0.49420   0.33470   0.01470
O2   0.14863   0.81670   0.46520   0.01100
O3   0.07116   0.54400   0.58020   0.01330
O4   0.00658   0.82660   0.40900   0.01460
O5   0.35359   0.67940   0.25270   0.01220
O6   0.35353   0.27900   0.31290   0.01240
O7   0.24002   0.52600   0.36370   0.00980
O8   0.23771   0.44250   0.13950   0.00990
H  -0.03640   0.77200   0.40500   0.05000