#------------------------------------------------------------------------------
#$Date: 2015-07-07 13:23:12 +0200 (Tue, 07 Jul 2015) $
#$Revision: 140688 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/10/1521055.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_1521055
loop_
_publ_author_name
'Frik, L.'
'Mewis, A.'
_publ_section_title
;
 Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              126
_journal_page_last               130
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Ca4 Cu3 P5 Zn2'
_chemical_name_systematic        'Ca4 Cu3 Zn2 P5'
_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_formula_units_Z            2
_cell_length_a                   4.041
_cell_length_b                   4.041
_cell_length_c                   37.06
_cell_volume                     524.100
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Frik_ZAACAB_1999_795.cif
_cod_data_source_block           Ca4Cu3P5Zn2
_cod_original_cell_volume        524.0995
_cod_database_code               1521055
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-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
P2 P-3 0.3333 0.6667 0.6446 1 0.0
Ca1 Ca+2 0 0 0.0911 1 0.0
Cu2 Cu+1 0.3333 0.6667 0.1439 1 0.0
Ca2 Ca+2 0 0 0.197 1 0.0
Cu1 Cu+1 0.3333 0.6667 0.75 1 0.0
P1 P-3 0.3333 0.6667 0.25 1 0.0
Zn1 Zn+2 0.3333 0.6667 0.5243 1 0.0
P3 P-3 0.3333 0.6667 0.0442 1 0.0
