#------------------------------------------------------------------------------
#$Date: 2015-10-12 23:34:11 +0200 (lun 12 de oct de 2015) $
#$Revision: 166823 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/28/7222875.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_7222875
loop_
_publ_author_name
'Mueller, W.'
'Schaefer, H.'
'Weiss, A.'
_publ_section_title
;
 Neuartige Siliciumverbaende in der Phase Ca1.65 Li1.85 Si4.0
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              1371
_journal_page_last               1374
_journal_volume                  25
_journal_year                    1970
_chemical_formula_sum            'Ca1.65 Li1.85 Si4'
_chemical_name_systematic        'Ca1.65 Li1.85 Si4.0'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.58
_cell_length_b                   10.3
_cell_length_c                   4.37
_cell_volume                     611.249
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Mueller_ZENBAX_1970_669.cif
_cod_data_source_block           Ca1.65Li1.85Si4
_cod_original_cell_volume        611.2494
_cod_database_code               7222875
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,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
Si4 Si 0.429 0.067 0 1 0.0
Ca3 Ca 0.831 0.275 0 0.15 0.0
Li1 Li 0.831 0.275 0 0.85 0.0
Si1 Si 0.638 0.357 0 1 0.0
Si2 Si 0.333 0.418 0 1 0.0
Si3 Si 0.474 0.286 0 1 0.0
Li2 Li 0.237 0.039 0 1 0.0
Ca1 Ca 0 0 0 1 0.0
Ca2 Ca 0.107 0.36 0 1 0.0
