#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/45/1534599.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_1534599
loop_
_publ_author_name
'Glaser, J.'
_publ_section_title
;
 Neue Verbindungen im System Ca/Ni/Si
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1946
_journal_page_last               1950
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Ca3 Ni3 Si2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2659
_cell_length_b                   3.9669
_cell_length_c                   18.1406
_cell_volume                     666.792
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Glaser_ZAACAB_2002_592.cif
_cod_data_source_block           Ca3Ni3Si2
_cod_original_cell_volume        666.7922
_cod_database_code               1534599
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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 0.10895 0.25 0.56918 1 0.0
Ni2 Ni 0.30576 0.25 0.30818 1 0.0
Si2 Si 0.62565 0.25 0.10629 1 0.0
Ca2 Ca 0.1407 0.25 0.9338 1 0.0
Ni1 Ni 0.44602 0.25 0.19229 1 0.0
Si1 Si 0.1218 0.25 0.75037 1 0.0
Ni3 Ni 0.8734 0.25 0.68489 1 0.0
Ca3 Ca 0.12514 0.25 0.18091 1 0.0
