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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/27/9012730.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_9012730
loop_
_publ_author_name
'Schottmiller, J. C.'
'King, A. J.'
'Kanda, F. A.'
_publ_section_title
;
 The calcium-strontium metal phase system
 Sample: at T = 415 C
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              1446
_journal_page_last               1449
_journal_paper_doi               10.1021/j150569a024
_journal_volume                  62
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ca
_chemical_name_common            Calcium
_chemical_name_mineral           Calcium
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.00
_cell_length_b                   4.00
_cell_length_c                   6.50
_cell_formula_units_Z            2
_cell_volume                     90.067
_database_code_amcsd             0013146
_diffrn_ambient_temperature      688.15
_exptl_crystal_density_diffrn    1.478
_cod_database_code               9012730
loop_
_space_group_symop_operation_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
Ca 0.33333 0.66667 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 4573905
2 AMCSD 0013146