#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/41/9004121.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_9004121
loop_
_publ_author_name
'Le Page, Y.'
'Donnay, G.'
_publ_section_title
;
 The crystal structure of the new mineral maricite, NaFePO4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              518
_journal_page_last               521
_journal_volume                  15
_journal_year                    1977
_chemical_formula_sum            'Ca0.01 Fe0.9 Mg0.03 Mn0.06 Na O4 P'
_chemical_name_mineral           Maricite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.861
_cell_length_b                   8.987
_cell_length_c                   5.045
_cell_formula_units_Z            4
_cell_volume                     311.074
_database_code_amcsd             0005143
_exptl_crystal_density_diffrn    3.686
_cod_original_formula_sum        'Na (Fe.9 Mn.06 Mg.03 Ca.01) P O4'
_cod_database_code               9004121
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,1/2+y,1/2-z
-x,1/2-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na 0.25000 0.85080 0.53050 1.00000
Fe 0.00000 0.00000 0.00000 0.90000
Mn 0.00000 0.00000 0.00000 0.06000
Mg 0.00000 0.00000 0.00000 0.03000
Ca 0.00000 0.00000 0.00000 0.01000
P 0.25000 0.17600 0.46400 1.00000
O1 0.25000 0.11640 0.75210 1.00000
O2 0.25000 0.34920 0.45570 1.00000
O3 0.06920 0.12130 0.31740 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005143
