###############################################################################
# Cortona, P. (1992)
# Physical Review, Serie 3. B - Condensed Matter (18,1978-) 46, 2008-2014
# Direct determination of self-consistent total energies and and charge\
# densities of solids: a study of the cohesive properties of the alkal
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_44289-ICSD
_database_code_ICSD                44289
_audit_creation_date               2000-07-15
_chemical_name_systematic
'Caesium chloride'
_chemical_formula_structural       
'Cs Cl'
_chemical_formula_sum              
'Cl1 Cs1'
_publ_section_title                
'Cl1 Cs1'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Physical Review, Serie 3. B - Condensed Matter (18,1978-)' 1992 46 2008 2014 PRBMDO
loop_
_publ_author_name
Cortona, P.
_cell_length_a                     4.11
_cell_length_b                     4.11
_cell_length_c                     4.11
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       69.43
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P m -3 m'
_symmetry_Int_Tables_number        221
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1 'x,y,z'
 2 'x,-y,-z'
 3 'x,-y,z'
 4 '-z,-y,x'
 5 'z,-y,x'
 6 '-y,x,-z'
 7 '-y,x,z'
 8 '-y,-z,x'
 9 '-y,z,x'
 10 'x,-z,-y'
 11 'x,-z,y'
 12 'x,z,-y'
 13 'x,z,y'
 14 '-z,x,-y'
 15 '-z,x,y'
 16 'z,x,-y'
 17 'z,x,y'
 18 'y,x,-z'
 19 'y,x,z'
 20 'y,-z,x'
 21 'y,z,x'
 22 'x,y,-z'
 23 '-z,y,x'
 24 'z,y,x'
 25 '-x,-y,-z'
 26 '-x,y,z'
 27 '-x,y,-z'
 28 'z,y,-x'
 29 '-z,y,-x'
 30 'y,-x,z'
 31 'y,-x,-z'
 32 'y,z,-x'
 33 'y,-z,-x'
 34 '-x,z,y'
 35 '-x,z,-y'
 36 '-x,-z,y'
 37 '-x,-z,-y'
 38 'z,-x,y'
 39 'z,-x,-y'
 40 '-z,-x,y'
 41 '-z,-x,-y'
 42 '-y,-x,z'
 43 '-y,-x,-z'
 44 '-y,z,-x'
 45 '-y,-z,-x'
 46 '-x,-y,z'
 47 'z,-y,-x'
 48 '-z,-y,-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cs1+     1.
Cl1-     -1.
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Cl1 Cl1- 1 a 0 0 0 0. 1.
Cs1 Cs1+ 1 b 0.5 0.5 0.5 0. 1.
#End of data_44289-ICSD

