data_global
_chemical_name_mineral 'Mansfieldite'
loop_
_publ_author_name
'Harrison W T A'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 56 
_journal_year 2000
_journal_page_first e421
_journal_page_last e421
_publ_section_title
;
 Synthetic mansfieldite, AlAsO4*2H2O
 Sample: T = 298 K
;
_database_code_amcsd 0010322
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al As O6 H4'
_cell_length_a 8.8218
_cell_length_b 9.8252
_cell_length_c 10.1163
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 876.840
_exptl_crystal_density_diffrn      3.059
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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_U_iso_or_equiv
Al   0.14889   0.18020   0.12793   0.00760
As   0.03564  -0.13830   0.15010   0.00600
O1   0.01170   0.03160   0.14290   0.00930
O2  -0.00290  -0.20080   0.30080   0.01020
O3   0.21750  -0.17000   0.10960   0.01060
O4  -0.08350  -0.21720   0.04380   0.01120
Ow5   0.22830   0.12340   0.29580   0.01120
Ow6   0.31750   0.07030   0.05620   0.01390
H51   0.19000   0.17000   0.35400   0.08000
H52   0.30900   0.11400   0.30100   0.03600
H61   0.34700   0.09300  -0.01000   0.03300
H62   0.29500  -0.02300   0.05300   0.04700
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
Al 0.00880 0.00660 0.00740 -0.00030 0.00050 0.00050
As 0.00708 0.00490 0.00611 0.00004 0.00034 0.00017
O1 0.01000 0.00460 0.01400 -0.00020 -0.00020 -0.00140
O2 0.01320 0.01000 0.00760 -0.00190 0.00050 0.00310
O3 0.00700 0.00710 0.01700 0.00170 0.00200 0.00170
O4 0.01200 0.01380 0.00800 -0.00610 -0.00450 0.00030
Ow5 0.01020 0.01490 0.00850 0.00400 -0.00140 -0.00070
Ow6 0.01610 0.01000 0.01550 0.00030 0.00300 0.00000