#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/73/1537395.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_1537395
loop_
_publ_author_name
'Hellner, E.'
_publ_section_title
;
 Die Kristallstruktur des Ca Si
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              226
_journal_page_last               236
_journal_volume                  261
_journal_year                    1950
_chemical_formula_sum            'Ca Si'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2 (z,x,y)'
_symmetry_space_group_name_H-M   'C m c m (c,a,b)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.91
_cell_length_b                   4.59
_cell_length_c                   10.795
_cell_volume                     193.737
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hellner_ZAACAB_1950_808.cif
_cod_data_source_block           Ca1Si1
_cod_original_cell_volume        193.7368
_cod_original_sg_symbol_H-M      'A m m a'
_cod_original_formula_sum        'Ca1 Si1'
_cod_database_code               1537395
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
-x,y,-z
-x+1/2,-y,z
-x,-y,-z
-x-1/2,y,z
x,-y,z
x-1/2,y,-z
x,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,-y+1/2,-z+1/2
-x-1/2,y+1/2,z+1/2
x,-y+1/2,z+1/2
x-1/2,y+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si1 Si 0.25 0 0.07 1 0.0
Ca1 Ca 0.25 0 0.36 1 0.0
