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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/9/9008282.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_9008282
_chemical_name 'Chantalite'
loop_
_publ_author_name
'Liebich B W'
'Sarp H'
'Parthe E'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 150
_journal_year 1979
_journal_page_first 53
_journal_page_last 63
_publ_section_title
;
 The crystal structure of chantalite, CaAl2(OH)4SiO4
 Locality: rodingitic dykes in a ophiolitic zone in the Taurus Mountains,
 southwest Turkey
;
_chemical_formula_sum 'Ca Al2 Si O8 H4'
_cell_length_a 4.952
_cell_length_b 4.952
_cell_length_c 23.275
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 570.757
_symmetry_space_group_name_H-M 'I 41/a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '3/4+y,1/4-x,1/4-z'
  '1/4+y,3/4-x,3/4-z'
  '3/4-y,1/4+x,1/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '3/4-y,3/4+x,3/4-z'
  '1/4-y,1/4+x,1/4-z'
  '3/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+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
Ca   0.00000   0.25000   0.62500 ?
Al   0.00000   0.25000   0.46530 ?
Si   0.00000   0.25000   0.12500 ?
O1   0.13100   0.49670   0.16310 ?
O2   0.18910   0.92190   0.47030 ?
H   0.39000   0.97000   0.46000   0.01500