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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/28/9002883.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_9002883
loop_
_publ_author_name
'Hatert, F.'
'Hermann, R. P.'
'Long, G. J.'
'Fransolet, A. M.'
'Grandjean, F.'
_publ_section_title
;
 An X-ray Rietveld, infrared, and Mossbauer spectral study of the
 NaMn(Fe1-xInx)2(PO4)3 alluaudite-type solid solution
 Sample: x = 0.50, NaMnFeIn(PO4)3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              211
_journal_page_last               222
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe In0.936 Mn0.564 Na0.549 O12 P2.5'
_chemical_name_mineral           Alluaudite
_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                 114.84
_cell_angle_gamma                90
_cell_length_a                   12.131
_cell_length_b                   12.746
_cell_length_c                   6.470
_cell_formula_units_Z            4
_cell_volume                     907.850
_database_code_amcsd             0002972
_exptl_crystal_density_diffrn    3.485
_cod_original_formula_sum        'Na.549 Mn.564 In.936 Fe P2.5 O12'
_cod_database_code               9002883
loop_
_space_group_symop_operation_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
NaA2* 0.00000 -0.01100 0.25000 0.05900 0.01267
NaA1 0.50000 0.00000 0.00000 0.49000 0.04179
MnM1 0.00000 0.26310 0.25000 0.39000 0.01013
InM1 0.00000 0.26310 0.25000 0.11000 0.01013
FeM2 0.28310 0.65040 0.37310 0.50000 0.00418
InM2 0.28310 0.65040 0.37310 0.41300 0.00418
MnM2 0.28310 0.65040 0.37310 0.08700 0.00418
P1 0.00000 -0.28860 0.25000 0.50000 0.00380
P2 0.24070 -0.10990 0.13060 1.00000 0.00380
O1 0.45490 0.71990 0.53400 1.00000 0.00253
O2 0.09770 0.63550 0.24200 1.00000 0.00253
O3 0.33040 0.66250 0.10400 1.00000 0.00253
O4 0.12780 0.39420 0.32400 1.00000 0.00253
O5 0.22340 0.82120 0.31200 1.00000 0.00253
O6 0.31220 0.49700 0.37000 1.00000 0.00253
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002972
