#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000533.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_9000533
loop_
_publ_author_name
'Kampf A R'
'Moore P B'
_publ_section_title
;
 The crystal structure of bermanite, a hydrated manganese phosphate
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1241
_journal_page_last               1248
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'H10 Mn3 O14 P2'
_[local]_cod_chemical_formula_sum_orig 'Mn3 P2 O14 H10'
_chemical_name_mineral           Bermanite
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.3
_cell_angle_gamma                90
_cell_length_a                   5.446
_cell_length_b                   19.250
_cell_length_c                   5.428
_cell_volume                     533.703
loop_
_symmetry_equiv_pos_as_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
Mn1 0.42500 0.00000 0.23680 0.00671
Mn2 0.92070 0.00130 0.73610 0.00697
Mn3 0.53860 0.25090 0.50820 0.02001
P1 0.44500 0.09580 0.71160 0.00671
P2 0.39510 0.90460 0.76030 0.00557
O1 0.32700 0.07490 0.41500 0.01140
O2 0.51400 0.92550 0.05700 0.00760
O3 0.29200 0.06050 0.87000 0.00887
O4 0.54900 0.93980 0.60500 0.00887
O5 0.73900 0.07340 0.82900 0.01013
O6 0.10100 0.92600 0.64400 0.00760
O7 0.40900 0.17420 0.72600 0.01140
O8 0.59700 0.32540 0.25700 0.01140
O-H1 0.78600 0.03440 0.37700 0.01013
O-H2 0.05900 0.97130 0.10100 0.00633
Wat1 0.83800 0.18630 0.44300 0.02153
Wat2 0.24100 0.31560 0.59900 0.02026
Wat3 0.25500 0.20420 0.13300 0.01773
Wat4 0.82100 0.29090 0.87700 0.02280
_cod_database_code 9000533