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#$Date: 2015-09-17 22:44:07 +0300 (Thu, 17 Sep 2015) $
#$Revision: 156777 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/13/1531341.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_1531341
loop_
_publ_author_name
'Hatert, F.'
'Hermann, R.P.'
'Long, G.J.'
'Grandjean, F.'
'Fransolet, A.M.'
_publ_section_title
;
 An X-ray Rietveld, infrared and Moessbauer spectral study of the Na Mn
 (Fe1-x Inx)2 (P O4)3 alluaudite-type solid solution
;
_journal_name_full               'American Mineralogist'
_journal_page_first              211
_journal_page_last               222
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe1.5 In0.584 Mn0.916 Na1.066 O12 P3'
_chemical_name_systematic
;
Na1.066 (Mn0.852 In0.148) (Fe1.5 In0.436 Mn0.064) (P O4)3
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.63
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.064
_cell_length_b                   12.641
_cell_length_c                   6.428
_cell_volume                     891.089
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Hatert_AMMIAY_2003_1784.cif
_cod_data_source_block           Fe1.5In0.584Mn0.916Na1.066O12P3
_cod_original_cell_volume        891.0891
_cod_database_code               1531341
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.4589 0.7284 0.529 1 0.0
In2 In+3 0.2831 0.652 0.3717 0.218 0.0
O4 O-2 0.1329 0.3955 0.327 1 0.0
Na1 Na+1 0 -0.03 0.25 0.066 0.0
O3 O-2 0.3242 0.6609 0.106 1 0.0
P1 P+5 0 0.7175 0.25 1 0.0
Fe1 Fe+3 0.2831 0.652 0.3717 0.75 0.0
P2 P+5 0.2375 0.8914 0.1331 1 0.0
O2 O-2 0.0969 0.6358 0.234 1 0.0
Mn1 Mn+1 0 0.265 0.25 0.852 0.0
Na2 Na+1 0.5 0 0 1 0.0
In1 In+3 0 0.265 0.25 0.148 0.0
O5 O-2 0.2239 0.8283 0.315 1 0.0
O6 O-2 0.311 0.5012 0.371 1 0.0
Mn2 Mn+1 0.2831 0.652 0.3717 0.032 0.0
