#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005746.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_9005746
loop_
_publ_author_name
'Redhammer G J'
'Tippelt G'
'Bernroider M'
'Lottermoser W'
'Amthauer G'
'Roth G'
_publ_section_title
;
 Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany):
 Crystal structure determination and 57Fe Mossbauer spectroscopy
 Locality: Buranga, Rwanda
 Sample: T = 298K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              915
_journal_page_last               932
_journal_volume                  17
_journal_year                    2005
_chemical_formula_sum            'Al0.52 Ca0.32 Fe2.48 Na0.84 O12 P3'
_[local]_cod_chemical_formula_sum_orig 'Na.84 Ca.32 Fe2.48 Al.52 P3 O12'
_chemical_name_mineral           Alluaudite
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.257
_cell_angle_gamma                90
_cell_length_a                   11.9941
_cell_length_b                   12.5256
_cell_length_c                   6.3973
_cell_volume                     876.235
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-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
NaA1 0.50000 0.00000 0.00000 0.68000 0.03710
CaA1 0.50000 0.00000 0.00000 0.32000 0.03710
NaA2* 0.00000 -0.01360 0.25000 0.16000 0.03870
FeM1 0.00000 0.25980 0.25000 1.00000 0.01220
FeM2 0.28130 0.65210 0.37210 0.74000 0.00930
AlM2 0.28130 0.65210 0.37210 0.26000 0.00930
P1 0.00000 -0.28520 0.25000 1.00000 0.00960
P2 0.24280 -0.10860 0.13190 1.00000 0.00970
O1 0.45310 0.71500 0.53300 1.00000 0.01250
O2 0.09930 0.63970 0.24120 1.00000 0.01630
O3 0.32750 0.66400 0.10240 1.00000 0.01330
O4 0.12110 0.39800 0.31310 1.00000 0.01630
O5 0.22590 0.82210 0.31850 1.00000 0.01340
O6 0.31050 0.50230 0.37450 1.00000 0.01700