data_global
_chemical_name_mineral 'Bendadaite'
loop_
_publ_author_name
'Kolitsch U'
'Atencio D'
'Chukanov N V'
'Zubkova N V'
'Menezes L A D'
'Coutinho J M V'
'Birch W D'
'Schluter J'
'Pohl D'
'Kampf A R'
'Steele I M'
'Favreau G'
'Nasdala L'
'Mockel S'
'Giester G'
'Pushcharovsky D Y'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 74 
_journal_year 2010
_journal_page_first 469
_journal_page_last 486
_publ_section_title
;
 Bendadaite, a new iron arsenate mineral of the arthurite group
;
_database_code_amcsd 0015896
_chemical_compound_source 'Almerindo mine, Linopolis, Minas Gerais, Brazil'
_chemical_formula_sum 'Fe2.81 Al.08 As1.482 P.526 O14 H10'
_cell_length_a 10.200
_cell_length_b 9.718
_cell_length_c 5.5432
_cell_angle_alpha 90
_cell_angle_beta 94.05
_cell_angle_gamma 90
_cell_volume 548.090
_exptl_crystal_density_diffrn      3.154
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-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
Fe(1)   0.00000   0.00000   0.00000   0.94800   0.01304
Fe(2)   0.45715   0.13679   0.33999   0.93100   0.00815
Al(2)   0.45715   0.13679   0.33999   0.04000   0.00815
As   0.29818   0.42687   0.32898   0.74100   0.00792
P   0.29818   0.42687   0.32898   0.26300   0.00792
O(1)   0.39899   0.48388   0.11976   1.00000   0.01220
O(2)   0.35684   0.48686   0.59650   1.00000   0.01370
O(3)   0.15115   0.48741   0.26150   1.00000   0.01790
O(4)   0.29959   0.25662   0.32143   1.00000   0.01400
O-h   0.54491   0.23380   0.08027   1.00000   0.01400
Ow(1)   0.12925  -0.09593   0.29790   1.00000   0.02410
Ow(2)   0.04589   0.18779   0.14980   1.00000   0.02980
H   0.58600   0.17600   0.99900   1.00000   0.03900
H11   0.20800   0.91500   0.26200   1.00000   0.05700
H12   0.12800   0.94100   0.45600   1.00000   0.05600
H21   0.11800   0.21100   0.22600   1.00000   0.06100
H22   0.99200   0.24700   0.18100   1.00000   0.05700
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
Fe(1) 0.01469 0.01264 0.01210 -0.00285 0.00241 -0.00171
Fe(2) 0.01042 0.00689 0.00716 0.00032 0.00074 0.00007
Al(2) 0.01042 0.00689 0.00716 0.00032 0.00074 0.00007
As 0.00861 0.00787 0.00738 0.00010 0.00130 0.00012
P 0.00861 0.00787 0.00738 0.00010 0.00130 0.00012
O(1) 0.01360 0.01170 0.01160 -0.00130 0.00250 -0.00140
O(2) 0.01660 0.01260 0.01170 -0.00050 -0.00100 0.00100
O(3) 0.01610 0.02070 0.01700 0.00150 0.00280 0.00160
O(4) 0.01600 0.01250 0.01360 0.00260 0.00070 -0.00040
O-h 0.01670 0.01300 0.01240 0.00340 0.00330 0.00260
Ow(1) 0.02130 0.03040 0.02050 -0.00390 0.00020 -0.00150
Ow(2) 0.02480 0.02240 0.04200 -0.00310 0.00080 -0.01450