data_global
_chemical_name_mineral 'Ferroalluaudite'
loop_
_publ_author_name
'Corbin D R'
'Whitney J F'
'Fultz W C'
'Stucky G D'
'Eddy M M'
'Cheetham A K'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 25 
_journal_year 1986
_journal_page_first 2279
_journal_page_last 2280
_publ_section_title
;
 Synthesis of open-framework transition-metal phosphates using organometallic
 precursors in acidic media. Preparation and structural characterization of
 Fe5P4O20H10 and NaFe3P3O12
 Note: structure from ICSD
;
_database_code_amcsd 0012695
_chemical_formula_sum 'Na Fe3 P3 O12'
_cell_length_a 11.998
_cell_length_b 12.328
_cell_length_c 6.500
_cell_angle_alpha 90
_cell_angle_beta 114.185
_cell_angle_gamma 90
_cell_volume 877.037
_exptl_crystal_density_diffrn      3.601
_symmetry_space_group_name_H-M 'C 1 2/c 1'
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
Na   0.00000   0.97090   0.25000
Fe1   0.78904   0.83999  -0.12791
Fe2   0.50000   0.78329   0.25000
P1   0.78365   0.88869   0.38621
P2   0.50000   0.81971  -0.25000
O1   0.78550   0.82050   0.19280
O2   0.64510   0.90850   0.34360
O3   0.84600   0.82860   0.61070
O4   0.84560   0.99750   0.39870
O5   0.60700   0.89410  -0.23210
O6   0.53480   0.74830  -0.03810
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 0.01660 0.10680 0.01510 0.00000 0.00440 0.00000
Fe1 0.01160 0.00780 0.01040 0.00040 0.00680 0.00010
Fe2 0.01010 0.01060 0.01070 0.00000 0.00630 0.00000
P1 0.00870 0.00730 0.00740 0.00030 0.00390 -0.00100
P2 0.00730 0.00770 0.00640 0.00000 0.00260 0.00000
O1 0.01070 0.01030 0.08500 0.00040 0.00420 -0.00100
O2 0.00880 0.00930 0.01560 0.00050 0.00600 0.00100
O3 0.01190 0.01160 0.00740 0.00190 0.00390 0.00150
O4 0.01210 0.00850 0.01320 -0.00110 0.00610 0.00000
O5 0.00890 0.00950 0.01470 -0.00190 0.00480 0.00030
O6 0.01000 0.01210 0.00850 0.00030 0.00430 0.00200