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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/9/9009361.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_9009361
_chemical_name 'Florencite-(Ce)'
loop_
_publ_author_name
'Kato T'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1990
_journal_year 1990
_journal_page_first 227
_journal_page_last 231
_publ_section_title
;
 The crystal structure of florencite
 Locality: Backbone Ranges of Mackenzie Mountains, Northwest Territories, Canada
;
_chemical_formula_sum 'Al3 (Ce.54 La.27 Nd.11 Sm.04 Ca.04) P2 O14 H6'
_cell_length_a 6.972
_cell_length_b 6.972
_cell_length_c 16.261
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 684.530
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Al   0.50000   0.50000   0.50000   1.00000   0.00443
Ce   0.00000   0.00000   0.00000   0.54000   0.01013
La   0.00000   0.00000   0.00000   0.27000   0.01013
Nd   0.00000   0.00000   0.00000   0.11000   0.01013
Sm   0.00000   0.00000   0.00000   0.04000   0.01013
Ca   0.00000   0.00000   0.00000   0.04000   0.01013
P   0.00000   0.00000   0.31190   1.00000   0.00608
O1   0.00000   0.00000   0.40490   1.00000   0.00861
O2   0.21260  -0.21260  -0.05480   1.00000   0.00811
O-h   0.12430  -0.12430   0.13380   1.00000   0.00798
H   0.19300  -0.19300   0.12200   1.00000 ?