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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006415.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_9006415
_chemical_name 'Berlinite'
loop_
_publ_author_name
'Muraoka Y'
'Kihara K'
_journal_name_full "Physics and Chemistry of Minerals"
_journal_volume 24
_journal_year 1997
_journal_page_first 243
_journal_page_last 253
_publ_section_title
;
 The temperature dependence of the crystal structure of berlinite,
 a quartz-type form of AlPO4
 Sample: T = 598 C
;
_chemical_formula_sum 'Al P O4'
_cell_length_a 5.040
_cell_length_b 5.040
_cell_length_c 11.061
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 243.325
_symmetry_space_group_name_H-M 'P 62 2 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,x-y,-z'
  'x-y,x,1/3+z'
  'y,x,1/3-z'
  '-y,x-y,2/3+z'
  '-x+y,y,2/3-z'
  '-x,-y,z'
  '-x,-x+y,-z'
  '-x+y,-x,1/3+z'
  '-y,-x,1/3-z'
  'y,-x+y,2/3+z'
  'x-y,-y,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Al   0.50000   0.00000   0.33333   0.02900
P   0.50000   0.00000   0.83333   0.02900
O   0.41998   0.22798   0.24406   0.06800