data_global
_chemical_name_mineral 'Cyrilovite'
loop_
_publ_author_name
'Cozzupoli D'
'Grubessi O'
'Mottana A'
'Zanazzi P F'
_journal_name_full 'Mineralogy and Petrology'
_journal_volume 37 
_journal_year 1987
_journal_page_first 1
_journal_page_last 14
_publ_section_title
;
 Cyrilovite from Italy: structure and crystal chemistry
;
_database_code_amcsd 0014614
_chemical_compound_source 'Bosa, Sardinia, Italy'
_chemical_formula_sum 'Na Fe3 P2 O14 H8'
_cell_length_a 7.313
_cell_length_b 7.313
_cell_length_c 19.3150
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1032.966
_exptl_crystal_density_diffrn      3.116
_symmetry_space_group_name_H-M 'P 41 21 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '1/2-y,1/2+x,1/4+z'
  '1/2-x,1/2+y,1/4-z'
  '-x,-y,1/2+z'
  '-y,-x,1/2-z'
  '1/2+y,1/2-x,3/4+z'
  '1/2+x,1/2-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na   0.37550   0.37550   0.50000
Fe1   0.39530   0.10820   0.25770
Fe2   0.10350   0.10350   0.00000
P   0.14110   0.36600   0.35020
O2   0.29500   0.50650   0.33870
O3   0.19810   0.18010   0.31970
O4   0.10580   0.34870   0.42850
O-H5   0.13790   0.35290  -0.04310
O6   0.17540   0.02530   0.18880
O-H7   0.41060   0.34920   0.21090
Wat1  -0.03310   0.42520   0.31390
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 0.02080 0.02080 0.02390 0.01040 -0.00210 0.00210
Fe1 0.00700 0.00440 0.01870 0.00030 0.00060 -0.00060
Fe2 0.00490 0.00490 0.01810 -0.00110 0.00120 -0.00120
P 0.00550 0.00670 0.01560 -0.00060 -0.00060 0.00100
O2 0.00780 0.01220 0.02410 -0.00350 0.00850 -0.00130
O3 0.01590 0.01080 0.03070 0.00280 0.00370 0.00000
O4 0.00940 0.01040 0.01690 0.00270 0.00480 0.00430
O-H5 0.01650 0.01220 0.01490 -0.00420 0.00110 0.00270
O6 0.02040 0.00990 0.02320 -0.00610 -0.00710 0.00220
O-H7 0.01200 0.00280 0.02090 -0.00160 -0.00040 0.00510
Wat1 0.00970 0.01920 0.02280 0.00120 -0.00210 0.01190