#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/12/2101216.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_2101216
loop_
_publ_author_name
'Norrestam, R.'
'Kritikos, M.'
'Sjödin, A.'
_publ_section_title
;
 On the structure and properties of the layered lanthanide (Ln) barium
 copper oxyborates, LnBaCuO₂BO₃
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              631
_journal_page_last               636
_journal_paper_doi               10.1107/S0108768194003873
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'B Ba Cu La O5'
_chemical_formula_weight         430.55
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.5743(4)
_cell_length_b                   5.5743(4)
_cell_length_c                   7.5053(6)
_cell_volume                     233.21(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_cod_data_source_file            ab0325.cif
_cod_data_source_block           ab0325a
_cod_original_cell_volume        233.21
_cod_original_formula_sum        'B1 Ba1 Cu1 La1 O5'
_cod_database_code               2101216
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
La .0 .0 .0
Ba .0 .0 .5020(10)
Cu .500 .0 .731(2)
O(1) .245(9) .745(9) .770(5)
O(2) .500 .0 .460(3)
O(3) .150(3) .650(9) .166(3)
B .500 .0 .270
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
La O(1) 2.62(5)
La O(3) 2.46(2)
Ba O(1) 2.82(5)
Ba O(2) 2.810(10)
Ba O(3) 3.30(2)
Cu O(1) 2.03(5)
Cu O(1) 1.96(5)
Cu O(2) 2.04(2)
Cu O(3) 3.48(2)
B O(2) 1.430(10)
B O(3) 1.42(2)
La Ba 3.94
La Ba 3.740(10)
La Ba 3.770(10)
La Cu 3.440(10)
Ba Ba 3.940(10)
Ba Cu 3.280(10)
Cu Cu 3.940(10)
O(3) O(3) 2.37(3)
O(2) O(3) 2.51(2)
O(1) O(1) 2.79(7)
