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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/03/9000398.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9000398
loop_
_publ_author_name
'Moore, P. B.'
'Araki, T.'
_publ_section_title
;
 Bjarebyite, Ba(Mn,Fe)2Al2(OH)3[PO4]3: Its atomic arrangement
;
_journal_name_full               'American Mineralogist'
_journal_page_first              567
_journal_page_last               572
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Al2 Ba0.9 Fe0.9 H3 Mg0.2 Mn0.9 O15 P3 Sr0.1'
_chemical_name_mineral           Bjarebyite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.15
_cell_angle_gamma                90
_cell_length_a                   8.930
_cell_length_b                   12.073
_cell_length_c                   4.917
_cell_volume                     521.815
_exptl_crystal_density_diffrn    3.989
_cod_original_formula_sum        '(Ba.9 Sr.1) (Mn.9 Fe.9 Mg.2) Al2 P3 O15 H3'
_cod_database_code               9000398
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_U_iso_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