#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000164.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000164
loop_
_publ_author_name
'Moore P B'
_publ_section_title
;
 Crystal chemistry of the basic manganese arsenate minerals: II. The crystal
 structure of allactite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              733
_journal_page_last               741
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'As2 H8 Mn7 O16'
_[local]_cod_chemical_formula_sum_orig 'Mn7 As2 O16 H8'
_chemical_name_mineral           Allactite
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.07
_cell_angle_gamma                90
_cell_length_a                   11.03
_cell_length_b                   12.12
_cell_length_c                   5.51
_cell_volume                     672.548
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_U_iso_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