#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/28/9002885.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_9002885
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 = 0.75, NaMnFe.5In1.5(PO4)3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              211
_journal_page_last               222
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe0.5 In1.403 Mn0.597 Na0.55 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                 115.11
_cell_angle_gamma                90
_cell_length_a                   12.222
_cell_length_b                   12.845
_cell_length_c                   6.507
_cell_formula_units_Z            4
_cell_volume                     925.003
_cod_duplicate_entry             9002884
_cod_original_formula_sum        'Na.55 Mn.597 In1.403 Fe.5 P2.5 O12'
_cod_database_code               9002885
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
NaA2* 0.00000 0.00800 0.25000 0.05200 0.01267
NaA1 0.50000 0.00000 0.00000 0.49800 0.04686
MnM1 0.00000 0.26350 0.25000 0.37700 0.01267
InM1 0.00000 0.26350 0.25000 0.12300 0.01267
FeM2 0.28440 0.64970 0.37400 0.25000 0.00659
InM2 0.28440 0.64970 0.37400 0.64000 0.00659
MnM2 0.28440 0.64970 0.37400 0.11000 0.00659
P1 0.00000 -0.28980 0.25000 0.50000 0.00253
P2 0.24070 -0.11160 0.13290 1.00000 0.00253
O1 0.45600 0.71980 0.53600 1.00000 0.00127
O2 0.09720 0.63350 0.24200 1.00000 0.00127
O3 0.33250 0.66250 0.10500 1.00000 0.00127
O4 0.12910 0.39340 0.32800 1.00000 0.00127
O5 0.22520 0.81980 0.31100 1.00000 0.00127
O6 0.31300 0.49370 0.36900 1.00000 0.00127
