data_global
_chemical_name_mineral 'Maricite'
loop_
_publ_author_name
'Le Page Y'
'Donnay G'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 15 
_journal_year 1977
_journal_page_first 518
_journal_page_last 521
_publ_section_title
;
 The crystal structure of the new mineral maricite, NaFePO4
;
_database_code_amcsd 0005143
_chemical_formula_sum 'Na (Fe.9 Mn.06 Mg.03 Ca.01) P O4'
_cell_length_a 6.861
_cell_length_b 8.987
_cell_length_c 5.045
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 311.074
_exptl_crystal_density_diffrn      3.686
_symmetry_space_group_name_H-M 'P m n b'
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_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.01600 0.01200 0.01100 0.00000 0.00000 0.00000
Fe 0.00870 0.00640 0.00820 0.00220 -0.00310 -0.00400
Mn 0.00870 0.00640 0.00820 0.00220 -0.00310 -0.00400
Mg 0.00870 0.00640 0.00820 0.00220 -0.00310 -0.00400
Ca 0.00870 0.00640 0.00820 0.00220 -0.00310 -0.00400
P 0.00640 0.00290 0.00370 0.00000 0.00000 -0.00010
O1 0.01400 0.00650 0.00710 0.00000 0.00000 0.00200
O2 0.00900 0.00300 0.01000 0.00000 0.00000 0.00100
O3 0.00800 0.01000 0.01000 0.00200 -0.00100 -0.00400