#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009414.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_9009414
_chemical_name 'Ancylite-(La)'
loop_
_publ_author_name
'Petersen O V'
'Niedermayr G'
'Gault R A'
'Brandstatter F'
'Micheelsen H I'
'Giester G'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 2001
_journal_year 2001
_journal_page_first 493
_journal_page_last 504
_publ_section_title
;
 Ancylite-(La) from the Ilimaussaq alkaline complex, South Greenland
 Locality: Ilimaussaq alkaline complex, South Greenland
;
_chemical_formula_sum 'Sr.31 Ca.05 La.27 Nd.205 Pr.07 Ce.04 Sm.01 C O3.925 F.075
_cell_length_a 5.044
_cell_length_b 8.541
_cell_length_c 7.292
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 314.145
_symmetry_space_group_name_H-M 'P m c n'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  'x,1/2-y,1/2+z'
  '-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_occupancy
_atom_site_Uiso_or_equiv
SrM   0.25000   0.34134   0.64817   0.31000   0.01080
CaM   0.25000   0.34134   0.64817   0.05000   0.01080
LaM   0.25000   0.34134   0.64817   0.27000   0.01080
NdM   0.25000   0.34134   0.64817   0.20500   0.01080
PrM   0.25000   0.34134   0.64817   0.07000   0.01080
CeM   0.25000   0.34134   0.64817   0.04000   0.01080
SmM   0.25000   0.34134   0.64817   0.01000   0.01080
C   0.75000   0.19180   0.81300   1.00000   0.01190
O1   0.75000   0.32130   0.72580   1.00000   0.02330
O2   0.52910   0.12380   0.85190   1.00000   0.01820
Wat   0.25000   0.41510   0.97710   0.50000   0.03130
O-H   0.25000   0.41510   0.97710   0.42500   0.03130
F   0.25000   0.41510   0.97710   0.07500   0.03130