#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008198.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_9008198
loop_
_publ_author_name
'Pannhorst, W.'
'Lohn, J.'
_publ_section_title
;
 Zur kristallstruktur von strontianit, SrCO3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              455
_journal_page_last               459
_journal_volume                  131
_journal_year                    1970
_chemical_formula_sum            'C O3 Sr'
_chemical_name_mineral           Strontianite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.020
_cell_length_b                   5.093
_cell_length_c                   8.376
_cell_formula_units_Z            4
_cell_volume                     256.807
_database_code_amcsd             0010714
_exptl_crystal_density_diffrn    3.818
_cod_original_formula_sum        'Sr C O3'
_cod_database_code               9008198
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-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 0.75830 0.25000 0.41590 0.00975
C 0.92000 0.25000 0.75800 0.01026
O1 0.90500 0.25000 0.91300 0.01393
O2 0.91200 0.46900 0.68100 0.00963
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010714
