#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004208.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_9004208
_chemical_name 'Gittinsite'
loop_
_publ_author_name
'Roelofsen-Ahl J N'
'Peterson R C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 27
_journal_year 1989
_journal_page_first 703
_journal_page_last 708
_publ_section_title
;
 Gittinsite: A modification of the thortveitite structure
;
_chemical_formula_sum 'Zr Ca Si2 O7'
_cell_length_a 6.852
_cell_length_b 8.659
_cell_length_c 4.686
_cell_angle_alpha 90
_cell_angle_beta 101.69
_cell_angle_gamma 90
_cell_volume 272.260
_symmetry_space_group_name_H-M 'C 1 2 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zr   0.00000   0.31400   0.50000
Ca   0.00000   0.70630   0.50000
Si   0.21230   0.99200   0.91870
O1   0.00000   0.93870   0.00000
O2   0.37340   0.00000   0.21960
O3   0.18850   0.15490   0.74050
O4   0.26400   0.85390   0.71030