#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/15/1511541.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_1511541
loop_
_publ_author_name
'Schaefer, J.'
'Bluhm, K.'
_publ_section_title
;
 Cu Tb (B5 O10): Das erste "Metaborat" mit einem 1-infinite (B5 O10)5- -
 Anion
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              567
_journal_page_last               570
_journal_paper_doi               10.1002/zaac.19956210413
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'B5 Cu O10 Tb'
_chemical_name_systematic        'Cu Tb (B5 O10)'
_space_group_IT_number           45
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.294
_cell_length_b                   8.406
_cell_length_c                   12.733
_cell_volume                     673.669
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron4-x_177.cif
_cod_data_source_block           B5Cu1O10Tb1
_cod_original_cell_volume        673.6695
_cod_original_formula_sum        'B5 Cu1 O10 Tb1'
_cod_database_code               1511541
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z+1/2
x,-y,z+1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1
x+1/2,-y+1/2,z+1
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
O2 O-2 0.1534 0.9119 0.2626 1 0.0
B2 B+3 0.122 0.1852 0.0463 1 0.0
O3 O-2 0.1519 0.1204 0.9454 1 0.0
O1 O-2 0.074 0.6568 0.337 1 0.0
Tb1 Tb+3 0 0.5 0.1946 1 0.0
O4 O-2 0.1385 0.103 0.1351 1 0.0
B3 B+3 0 0 0.1966 1 0.0
Cu1 Cu+2 0 0.5 0.9456 1 0.0
O5 O-2 0.0454 0.34 0.0544 1 0.0
B1 B+3 0.1076 0.8072 0.3499 1 0.0
