#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007475.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_9007475
_chemical_name 'Vaterite'
loop_
_publ_author_name
'Kamhi S R'
_journal_name_full "Acta Crystallographica"
_journal_volume 16
_journal_year 1963
_journal_page_first 770
_journal_page_last 772
_publ_section_title
;
 On the structure of vaterite, CaCO3
 Locality: Synthetic
;
_chemical_formula_sum 'Ca C O3'
_cell_length_a 4.13
_cell_length_b 4.13
_cell_length_c 8.49
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 125.412
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-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
Ca   0.00000   0.00000   0.00000   1.00000   0.08612
C   0.29000   0.58000   0.25000   0.33333   0.08612
O1   0.12000   0.24000   0.25000   0.33333   0.08612
O2   0.38000   0.76000   0.12000   0.33333   0.08612