#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/09/1510985.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_1510985
loop_
_publ_author_name
'Nikelski, T.'
'Schleid, T.'
_publ_section_title
;
 La Cl (B O2)2 und Er2 Cl2 (B2 O5): zwei Chlorid-Oxoborate dreiwertiger
 Lanthanide
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2028
_journal_page_last               2033
_journal_paper_doi               10.1002/zaac.200300184
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'B2 Cl2 Er2 O5'
_chemical_name_systematic        'Er2 Cl2 (B2 O5)'
_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            4
_cell_length_a                   14.8965
_cell_length_b                   10.048
_cell_length_c                   5.2486
_cell_volume                     785.611
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_69.cif
_cod_data_source_block           B2Cl2Er2O5
_cod_original_cell_volume        785.6106
_cod_database_code               1510985
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
Cl2 Cl-1 0.38976 0.4126 0 1 0.0
B2 B+3 0.2322 0.1981 0.5 1 0.0
O2 O-2 0.0127 0.3657 0.5 1 0.0
B1 B+3 0.0643 0.2557 0.5 1 0.0
O5 O-2 0.3186 0.243 0.5 1 0.0
O3 O-2 0.1595 0.2872 0.5 1 0.0
O1 O-2 0.0363 0.128 0.5 1 0.0
Er2 Er+3 0.390834 0.43057 0.5 1 0.0
Cl1 Cl-1 0.36897 0.0069 0 1 0.0
Er1 Er+3 0.378889 0.03056 0.5 1 0.0
O4 O-2 0.2242 0.0637 0.5 1 0.0
