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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529999.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_1529999
loop_
_publ_author_name
'Gladyshevskii, E.I.'
'Kripyakevich, P.I.'
'Bodak, O.I.'
_publ_section_title
;
 The crystal structure of the compound Ca Al2 Si2 and its analogues
;
_journal_name_full
'Ukrains'kii Fizichnii Zhurnal (Ukrainian Edition)'
_journal_page_first              447
_journal_page_last               452
_journal_volume                  12
_journal_year                    1967
_chemical_formula_sum            'Al2 Ca Si2'
_chemical_name_systematic        'Ca Al2 Si2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.13
_cell_length_b                   4.13
_cell_length_c                   7.145
_cell_volume                     105.544
_citation_journal_id_ASTM        UFZHAT
_cod_data_source_file            Gladyshevskii_UFZHAT_1967_1720.cif
_cod_data_source_block           Al2Ca1Si2
_cod_original_cell_volume        105.5439
_cod_original_formula_sum        'Al2 Ca1 Si2'
_cod_database_code               1529999
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
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
Ca1 Ca+2 0 0 0 1 0.0
Al1 Al+3 0.3333 0.6667 0.63 1 0.0
Si1 Si-4 0.3333 0.6667 0.27 1 0.0
