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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000227.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9000227
loop_
_publ_author_name
'de Villiers, J. P. R.'
_publ_section_title
;
 Crystal structures of aragonite, strontianite, and witherite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              758
_journal_page_last               767
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'C O3 Sr'
_chemical_name_mineral           Strontianite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.090
_cell_length_b                   8.358
_cell_length_c                   5.997
_cell_volume                     255.126
_exptl_crystal_density_diffrn    3.844
_[local]_cod_chemical_formula_sum_orig 'Sr C O3'
_cod_database_code               9000227
_amcsd_database_code             AMCSD#0000233
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_U_iso_or_equiv
Sr 0.25000 0.41600 0.75690 0.00643
C 0.25000 0.76010 -0.08640 0.00750
O1 0.25000 0.91190 -0.09460 0.01156
O2 0.46940 0.68210 -0.08390 0.01009