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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/06/1510677.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_1510677
loop_
_publ_author_name
'Trunov, V.K.'
'Nevskii, N.N.'
'Khamaganova, T.N.'
_publ_section_title
;
 Crystal structures of Ba2 TR (B O3)2 Cl (TR= Ho, Yb)
;
_journal_name_full               Kristallografiya
_journal_page_first              1422
_journal_page_last               1425
_journal_volume                  34
_journal_year                    1989
_chemical_formula_sum            'B2 Ba2 Cl O6 Yb'
_chemical_name_systematic        'Ba2 Yb (B O3)2 Cl'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.17
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.397
_cell_length_b                   5.279
_cell_length_c                   11.222
_cell_volume                     376.769
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            boron_16.cif
_cod_data_source_block           B2Ba2Cl1O6Yb1
_cod_original_cell_volume        376.7691
_cod_original_formula_sum        'B2 Ba2 Cl1 O6 Yb1'
_cod_database_code               1510677
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
O3 O-2 0.993 0.25 0.408 1 0.0
O2 O-2 0.293 0.526 0.2666 1 0.0
B2 B+3 0.792 0.25 0.427 1 0.0
B1 B+3 0.373 0.75 0.23 1 0.0
Ba2 Ba+2 0.0902 0.25 0.70472 1 0.0
Cl1 Cl-1 0.8522 0.25 0.0863 1 0.0
Ba1 Ba+2 0.343 0.25 0.07574 1 0.0
O1 O-2 0.526 0.75 0.148 1 0.0
O4 O-2 0.675 0.47 0.4345 1 0.0
Yb1 Yb+3 0.34786 0.25 0.41426 1 0.0
