data_global
_chemical_name_mineral 'Krautite'
loop_
_publ_author_name
'Catti M'
'Franchini-Angela M'
_journal_name_full 'American Mineralogist'
_journal_volume 64 
_journal_year 1979
_journal_page_first 1248
_journal_page_last 1254
_publ_section_title
;
 Krautite, Mn(H2O)(AsO3OH): crystal structure, hydrogen bonding and relations
 with haidingerite and pharmacolite
;
_database_code_amcsd 0000753
_chemical_formula_sum 'Mn As O5 H2'
_cell_length_a 8.012
_cell_length_b 15.956
_cell_length_c 6.801
_cell_angle_alpha 90
_cell_angle_beta 96.60
_cell_angle_gamma 90
_cell_volume 863.674
_exptl_crystal_density_diffrn      3.259
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-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
Mn(1)   0.40330   0.04510   0.65200   0.00874
Mn(1*)   0.10690  -0.04550   0.90430   0.00963
Mn(2)   0.85810   0.06630   0.16310   0.00899
Mn(2*)   0.65110  -0.06610   0.39340   0.00887
As(1)   0.40870   0.08740   0.14730   0.00773
As(1*)   0.10000  -0.08810   0.40750   0.00722
As(2)   0.81400   0.10140   0.66890   0.00659
As(2*)   0.69760  -0.10350   0.88910   0.00659
O(1)   0.29700   0.17100   0.20200   0.01393
O(1*)   0.21100  -0.16900   0.35100   0.01393
O(2)   0.32900   0.03600  -0.05400   0.00887
O(2*)   0.18300  -0.03600   0.61200   0.01267
O(3)   0.44900   0.02300   0.34200   0.01140
O(3*)   0.05800  -0.02200   0.21400   0.00380
O(4)   0.60300   0.12900   0.09200   0.01646
O(4*)  -0.09000  -0.12900   0.46200   0.00887
O(5)   0.62400   0.13400   0.71700   0.01393
O(5*)   0.88800  -0.13300   0.84100   0.00887
O(6)   0.91600   0.05000   0.86200   0.00887
O(6*)   0.59300  -0.05100   0.69600   0.01140
O(7)   0.80800   0.04400   0.46200   0.01267
O(7*)   0.70700  -0.04500   0.09700   0.01140
O(8)   0.93800   0.18900   0.64400   0.01773
O(8*)   0.58300  -0.19000   0.92200   0.02026
Wat1   0.26400   0.16400   0.58300   0.01900
Wat1*   0.24800  -0.16600   0.96400   0.01773
Wat2   0.96000   0.19000   0.16800   0.02280
Wat2*   0.54500  -0.18700   0.39100   0.02280