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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/7/22/12/7221219.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_7221219
loop_
_publ_author_name
'Kluefers, P.'
'Mewis, A.'
_publ_section_title
;
 A B2 X2 - Verbindungen im Ca Al2 Si2-Typ. III. Zur Struktur der
 Verbindungen Ca Zn2 P2, Ca Cd2 P2, Ca Zn2 As2 und Ca Cd2 As2.
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              753
_journal_page_last               756
_journal_volume                  32
_journal_year                    1977
_chemical_formula_sum            'As2 Ca Zn2'
_chemical_name_systematic        'Ca Zn2 As2'
_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                   4.162
_cell_length_b                   4.162
_cell_length_c                   7.01
_cell_volume                     105.161
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Kluefers_ZENBAX_1977_158.cif
_cod_data_source_block           As2Ca1Zn2
_cod_original_cell_volume        105.1606
_cod_original_formula_sum        'As2 Ca1 Zn2'
_cod_database_code               7221219
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
As1 As-3 0.3333 0.6667 0.2583 1 0.0
Ca1 Ca+2 0 0 0 1 0.0
Zn1 Zn+2 0.3333 0.6667 0.6303 1 0.0
