data_9000164
_chemical_name 'Allactite'
loop_
_publ_author_name
'Moore P B'
_journal_name_full "American Mineralogist"
_journal_volume 53
_journal_year 1968
_journal_page_first 733
_journal_page_last 741
_publ_section_title
;
 Crystal chemistry of the basic manganese arsenate minerals: II. The crystal
 structure of allactite
;
_chemical_formula_sum 'Mn7 As2 O16 H8'
_cell_length_a 11.03
_cell_length_b 12.12
_cell_length_c 5.51
_cell_angle_alpha 90
_cell_angle_beta 114.07
_cell_angle_gamma 90
_cell_volume 672.548
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Mn1   0.00000   0.00000   0.00000   0.01646
Mn2   0.21010   0.18010  -0.06040   0.01203
Mn3  -0.00670   0.43080   0.74040   0.01039
Mn4  -0.00010   0.28930   0.25160   0.01292
As  -0.20790   0.07940   0.32620   0.00228
O-H1   0.11520   0.30650   0.67330   0.01355
O2  -0.12190   0.57170   0.82560   0.00709
O-H3   0.09380   0.15540   0.17260   0.01849
O4  -0.16600   0.20170   0.25250   0.01862
O-H5  -0.11530   0.43730   0.31160   0.01722
O-H6   0.12570   0.68310   0.17440   0.01165
O7  -0.14140  -0.01870   0.21310   0.01178
O8   0.33800   0.42590   0.66010   0.01722