#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000398.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_9000398
_chemical_name 'Bjarebyite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full "American Mineralogist"
_journal_volume 59
_journal_year 1974
_journal_page_first 567
_journal_page_last 572
_publ_section_title
;
 Bjarebyite, Ba(Mn,Fe)2Al2(OH)3[PO4]3: Its atomic arrangement
;
_chemical_formula_sum '(Ba.9 Sr.1) (Mn.9 Fe.9 Mg.2) Al2 P3 O15 H3'
_cell_length_a 8.930
_cell_length_b 12.073
_cell_length_c 4.917
_cell_angle_alpha 90
_cell_angle_beta 100.15
_cell_angle_gamma 90
_cell_volume 521.815
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-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_occupancy
_atom_site_Uiso_or_equiv
Ba   0.54760   0.75000   0.74200   0.90000   0.00874
Sr   0.54760   0.75000   0.74200   0.10000   0.00874
Mn   0.29630  -0.10890   0.20480   0.45000   0.00836
Fe   0.29630  -0.10890   0.20480   0.45000   0.00836
Mg   0.29630  -0.10890   0.20480   0.10000   0.00836
Al   0.08990   0.40030   0.12750   1.00000   0.00773
P1   0.15630   0.75000   0.68530   1.00000   0.00773
P2   0.33120   0.44090   0.70340   1.00000   0.00798
O1   0.28040   0.75000   0.94220   1.00000   0.01127
O2   0.22900   0.75000   0.42980   1.00000   0.00950
O3   0.06020   0.64540   0.68880   1.00000   0.01153
O4   0.36940   0.55570   0.61530   1.00000   0.01229
O5   0.25610   0.44950   0.96520   1.00000   0.01165
O6   0.22510   0.38220   0.46570   1.00000   0.01254
O7   0.47050   0.36880   0.78590   1.00000   0.01165
O-H8   0.12200   0.25000   0.00660   1.00000   0.01026
O-H9   0.05720   0.55670   0.19050   1.00000   0.00975