data_31696-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                31696
_audit_creation_date               1986/10/09
_chemical_name_systematic          'Beryllium Chloride'
_chemical_formula_structural       'Be Cl2'
_chemical_formula_sum              'Be1 Cl2'
_publ_section_title
;
Electron Deficient Compounds. VI.The Structure of Beryllium Chloride
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Chemical Physics' 1952 20 132 134 JCPSA6
_publ_author_name                  'Rundle, R.E.;Lewis, P.H.'
_cell_length_a                     9.86
_cell_length_b                     5.36
_cell_length_c                     5.26
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       277.99
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I b a m'
_symmetry_Int_Tables_number        72
_refine_ls_R_factor_all            0.19
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x, y, z+1/2'
  2	'x, -y, z+1/2'
  3	'x, y, -z'
  4	'-x, -y, -z'
  5	'x, -y, -z+1/2'
  6	'-x, y, -z+1/2'
  7	'-x, -y, z'
  8	'x, y, z'
  9	'-x+1/2, y+1/2, z'
 10	'x+1/2, -y+1/2, z'
 11	'x+1/2, y+1/2, -z+1/2'
 12	'-x+1/2, -y+1/2, -z+1/2'
 13	'x+1/2, -y+1/2, -z'
 14	'-x+1/2, y+1/2, -z'
 15	'-x+1/2, -y+1/2, z+1/2'
 16	'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Be2+	2
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_occupancy
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
Cl1 Cl1- 8 j 0.109(1) 0.203(2) 0 1. 0 7.5 
Be1 Be2+ 4 a 0 0 0.25(2) 1. 0 7.5 

#End of data_31696-ICSD


