data_global
_chemical_name_mineral 'Brazilianite'
loop_
_publ_author_name
'Gatehouse B M'
'Miskin B K'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 30 
_journal_year 1974
_journal_page_first 1311
_journal_page_last 1317
_publ_section_title
;
 The crystal structure of brazilianite, NaAl3(PO4)2(OH)4
;
_database_code_amcsd 0009508
_chemical_compound_source 'Corrego Frio pegmatite, Minas Gerais, Brazil'
_chemical_formula_sum 'P2 Al3 Na O12 H4'
_cell_length_a 11.233
_cell_length_b 10.142
_cell_length_c 7.097
_cell_angle_alpha 90
_cell_angle_beta 97.37
_cell_angle_gamma 90
_cell_volume 801.847
_exptl_crystal_density_diffrn      2.998
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-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_U_iso_or_equiv
P1   0.18040   0.31220   0.23750 ?
P2   0.31240   0.32790   0.75380 ?
Al1   0.04320   0.22040   0.56140 ?
Al2   0.26300   0.06730   0.50820 ?
Al3   0.45940   0.25450   0.43280 ?
Na   0.30360   0.07510   0.03500 ?
O1   0.10350   0.07940   0.44980   0.00671
O2   0.42380   0.10100   0.56200   0.00709
O3   0.00300   0.34960   0.72430   0.00684
O4   0.49740   0.38600   0.26980   0.00697
O5   0.11450   0.23920   0.06640   0.00836
O6   0.28780   0.22190   0.31870   0.00671
O7   0.22600   0.21350   0.68110   0.00697
O8   0.38780   0.28060   0.93480   0.00785
O9   0.10000   0.34030   0.39350   0.00773
O10   0.39170   0.36730   0.60140   0.00773
O11   0.22590   0.44680   0.18220   0.00874
O12   0.23550   0.44870   0.79070   0.00773
H1   0.06200   0.00300   0.37200   0.01267
H2   0.46400   0.09800   0.68000   0.01267
H3   0.07300   0.40800   0.74800   0.01267
H4   0.04600   0.05800   0.84000   0.01267
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
P1 0.00320 0.00370 0.00370 0.00000 0.00030 0.00060
P2 0.00330 0.00310 0.00400 -0.00020 0.00070 -0.00040
Al1 0.00520 0.00470 0.00490 0.00050 0.00150 -0.00040
Al2 0.00350 0.00480 0.00590 0.00030 0.00070 -0.00060
Al3 0.00480 0.00460 0.00430 -0.00010 0.00110 0.00020
Na 0.03690 0.01440 0.01730 -0.00490 0.00610 0.00050