data_global
_chemical_name_mineral 'Burangaite'
loop_
_publ_author_name
'Selway J B'
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 35 
_journal_year 1997
_journal_page_first 1515
_journal_page_last 1522
_publ_section_title
;
 Refinement of the crystal structure of burangaite
;
_database_code_amcsd 0005534
_chemical_formula_sum 'Na Al5 Fe P4 H10 O24'
_cell_length_a 25.099
_cell_length_b 5.0491
_cell_length_c 13.438
_cell_angle_alpha 90
_cell_angle_beta 110.88
_cell_angle_gamma 90
_cell_volume 1591.127
_exptl_crystal_density_diffrn      3.054
_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
_atom_site_U_iso_or_equiv
Na   0.00000  -0.14750   0.25000 ?
Al1   0.00000   0.00000   0.00000 ?
Fe2   0.25000   0.25000   0.00000 ?
Al3   0.15172  -0.01840   0.10937 ?
Al4   0.14090  -0.22430   0.35101 ?
P1   0.21594   0.26600   0.32744 ?
P2   0.08058   0.27520   0.39430 ?
H5   0.15300   0.39200   0.01800   0.05000
H8   0.14500  -0.42300   0.19500   0.05000
H11   0.07900   0.23100   0.13000   0.05000
H12a   0.00400  -0.45700   0.09800   0.05000
H12b   0.06300  -0.29000   0.13400   0.05000
O1   0.09188   0.05580   0.32560 ?
O2   0.07990   0.54430   0.34120 ?
O3   0.02109   0.22120   0.40130 ?
O4   0.12559   0.27960   0.50610 ?
O5   0.16661   0.21480   0.00850 ?
O6   0.20824   0.00370   0.37980 ?
O7   0.19596  -0.50270   0.38160 ?
O8   0.12955  -0.25020   0.20460 ?
O9   0.17616   0.25520   0.21050 ?
O10   0.22232  -0.18960   0.15740 ?
O11   0.07453   0.12700   0.06600 ?
O12   0.02132  -0.28220   0.10220 ?
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 0.01100 0.01900 0.01220 0.00000 0.00460 0.00000
Al1 0.00520 0.00690 0.00630 0.00010 0.00210 -0.00040
Fe2 0.00530 0.00680 0.00590 -0.00460 0.00080 -0.00030
Al3 0.00510 0.00570 0.00470 -0.00030 0.00190 -0.00040
Al4 0.00510 0.00450 0.00430 0.00080 0.00180 0.00020
P1 0.00460 0.00430 0.00450 -0.00010 0.00170 -0.00010
P2 0.00490 0.00470 0.00550 0.00000 0.00220 0.00020
O1 0.00840 0.00630 0.00820 0.00180 0.00270 -0.00090
O2 0.00750 0.00560 0.00810 -0.00030 0.00290 0.00180
O3 0.00570 0.00960 0.01090 -0.00040 0.00450 0.00210
O4 0.00890 0.00700 0.00560 -0.00120 0.00120 0.00070
O5 0.00850 0.00830 0.00730 0.00030 0.00450 -0.00020
O6 0.00740 0.00670 0.00770 -0.00020 0.00200 0.00220
O7 0.00780 0.00630 0.00770 0.00100 0.00280 -0.00180
O8 0.00790 0.00710 0.00620 0.00010 0.00330 0.00050
O9 0.00870 0.00760 0.00580 0.00030 0.00130 -0.00050
O10 0.00650 0.01030 0.01250 0.00150 0.00420 0.00190
O11 0.00550 0.00770 0.01060 -0.00020 0.00190 -0.00120
O12 0.00820 0.01000 0.01040 -0.00030 0.00300 0.00200