#------------------------------------------------------------------------------
#$Date: 2010-04-10 19:37:29 +0100 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: svn://www.crystallography.net/cod/cif/9/9000283.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_9000283
loop_
_publ_author_name
'Moore, P. B.'
_publ_section_title
;
 Natrophilite, NaMn(PO4), has ordered cations
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1333
_journal_page_last               1344
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Fe0.07 Mn0.93 Na O4 P'
_chemical_name_mineral           Natrophilite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.523
_cell_length_b                   4.987
_cell_length_c                   6.312
_cell_volume                     331.242
_exptl_crystal_density_diffrn    3.468
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_292'
_[local]_cod_chemical_formula_sum_orig 'Na (Mn.93 Fe.07) P O4'
_cod_database_code               9000283
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,1/2-y,z
1/2-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
Na1 0.00000 0.00000 0.00000 1.00000 0.01494
Mn2 0.28469 -0.00650 0.25000 0.93000 0.00697
Fe2 0.28469 -0.00650 0.25000 0.07000 0.00697
P 0.10680 0.44000 0.25000 1.00000 0.00595
O1 0.11310 0.74710 0.25000 1.00000 0.00937
O2 0.46870 0.16050 0.25000 1.00000 0.00937
O3 0.17550 0.31140 0.05680 1.00000 0.00937