#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009412.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_9009412
_chemical_name 'Gugiaite'
loop_
_publ_author_name
'Yang Z'
'Fleck M'
'Pertlik F'
'Tillmanns E'
'Tao K'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 2001
_journal_year 2001
_journal_page_first 186
_journal_page_last 192
_publ_section_title
;
 The crystal structure of natural gugiaite, Ca2BeSi2O7
 Locality: skarn rocks in the Gugia alkaline complex, Liaoning Province, China
 Note, z coordinate of Ca is altered to reproduce reported Ca-O bond lengths
;
_chemical_formula_sum 'Ca2 Be Si2 O7'
_cell_length_a 7.4330
_cell_length_b 7.4330
_cell_length_c 4.9970
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 276.082
_symmetry_space_group_name_H-M 'P -4 21 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  'y,-x,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '-y,x,-z'
  '1/2+x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ca   0.16376   0.66376  -0.48894   0.01770
Be   0.00000   0.00000   0.00000   0.00380
Si   0.35325   0.85325  -0.03960   0.01380
O1   0.50000   0.00000   0.83590   0.01720
O2   0.35940   0.85940   0.27860   0.01620
O3   0.33320   0.41440   0.18160   0.01740