#------------------------------------------------------------------------------
#$Date: 2015-10-14 13:05:22 +0200 (Wed 14 de Oct de 2015) $
#$Revision: 168410 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/72/2107209.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107209
loop_
_publ_author_name
'Verdier, P.'
'l'Haridon, P.'
'Laurent, Y.'
'Maunaye, M.'
_publ_section_title
;
 Etude structurale de Ca5 Ga2 As6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              726
_journal_page_last               728
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'As6 Ca5 Ga2'
_chemical_name_systematic        'Ca5 ((As2) (Ga As2)2)'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.224
_cell_length_b                   11.357
_cell_length_c                   4.138
_cell_volume                     621.465
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Verdier_ACBCAR_1976_1609.cif
_cod_data_source_block           As6Ca5Ga2
_cod_original_cell_volume        621.4654
_cod_database_code               2107209
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-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
Ca2 Ca+2 0.2515 0.4107 0.5 1 0.0
Ca1 Ca+2 0.4865 0.6755 0.5 1 0.0
As3 As-1 0.4073 0.4811 0 1 0.0
Ga1 Ga 0.2868 0.6725 0 1 0.0
As2 As-2 0.1814 0.6609 0.5 1 0.0
As1 As-2 0.4023 0.8441 0 1 0.0
Ca3 Ca+2 0 0.5 0.5 1 0.0
