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#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/08/1510889.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_1510889
loop_
_publ_author_name
'Dzhurinskii, B.F.'
'Ilyukhin, A.B.'
_publ_section_title
;
 Crystal structures of double oxoborates Ln Ca4 O (B O3)3 (Ln= Gd, Tb, Lu)
 and Eu2 Ca O (B O3)2
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              917
_journal_page_last               920
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'B3 Ca4 O10 Tb'
_chemical_name_systematic        'Tb Ca4 O (B O3)3'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.24
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.089
_cell_length_b                   16.034
_cell_length_c                   3.5511
_cell_volume                     451.740
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            boron_408.cif
_cod_data_source_block           B3Ca4O10Tb1
_cod_original_cell_volume        451.7401
_cod_original_formula_sum        'B3 Ca4 O10 Tb1'
_cod_database_code               1510889
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
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
Tb2 Tb+3 0.1417 0.38754 0.3268 0.09 0.0
Ca2 Ca+2 0.1417 0.38754 0.3268 0.91 0.0
B1 B+3 0.3744 0 0.6996 1 0.0
Ca1 Ca+2 0 0 0 0.18 0.0
O5 O-2 0.9667 0.2693 0.2732 1 0.0
O3 O-2 0.2017 0 0.6038 1 0.0
Tb1 Tb+3 0 0 0 0.82 0.0
O1 O-2 0.826 0 0.4187 1 0.0
Ca3 Ca+2 0.2589 0.18054 0.6504 1 0.0
O4 O-2 0.0833 0.1431 0.0751 1 0.0
B2 B+3 0.9473 0.195 0.0777 1 0.0
O2 O-2 0.4612 -0.0744 0.7476 1 0.0
O6 O-2 0.7886 0.1736 -0.1186 1 0.0
