#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000405.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000405
_chemical_name 'Trolleite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full "American Mineralogist"
_journal_volume 59
_journal_year 1974
_journal_page_first 974
_journal_page_last 984
_publ_section_title
;
 Trolleite, Al4(OH)3[PO4]3: A very dense structure with octahedral
 face-sharing dimers
;
_chemical_formula_sum 'Al4 P3 O15 H3'
_cell_length_a 18.894
_cell_length_b 7.161
_cell_length_c 7.162
_cell_angle_alpha 90
_cell_angle_beta 99.99
_cell_angle_gamma 90
_cell_volume 954.326
_symmetry_space_group_name_H-M 'I 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Al1   0.16778  -0.00654   0.32059   0.00481
Al2   0.07570   0.27118   0.41714   0.00545
P1   0.00000   0.88269   0.25000   0.00443
P2   0.16844   0.36728   0.08109   0.00456
O1   0.06458   0.01173   0.32611   0.00760
O2   0.02064   0.76272   0.09579   0.00937
O3   0.23738   0.46488   0.16861   0.00925
O4   0.11114   0.50844   0.00803   0.00925
O5   0.14191   0.24551   0.23708   0.00709
O6   0.18216   0.23516  -0.07554   0.00950
O-h1   0.00000   0.36428   0.25000   0.00785
O-h2   0.16141   0.87900   0.06966   0.00671
H1   0.00000   0.48400   0.25000 ?
H2   0.19000   0.80900   0.07200 ?