#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (Tue 16 de Feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/94/7209446.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_7209446
loop_
_publ_author_name
'Kahn-Harari, A.'
'Aka, G.'
'Mougel, F.'
'Pelenc, D.'
_publ_section_title
;
 Structural and thermal stability of Czochralski grown Gd C O B oxoborate
 single crystals
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1619
_journal_page_last               1623
_journal_paper_doi               10.1039/a800492g
_journal_volume                  8
_journal_year                    1998
_chemical_formula_sum            'B3 Ca4 Gd O10'
_chemical_name_systematic        'Ca4 Gd 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                 101.26
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.078
_cell_length_b                   15.981
_cell_length_c                   3.5519
_cell_volume                     449.705
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            boron_403.cif
_cod_data_source_block           B3Ca4Gd1O10
_cod_original_cell_volume        449.7047
_cod_original_formula_sum        'B3 Ca4 Gd1 O10'
_cod_database_code               7209446
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
O1 O-2 0.8259 0 0.4212 1 0.0
B1 B+3 0.3762 0 0.7011 1 0.0
O4 O-2 0.0862 0.143 0.0781 1 0.0
O5 O-2 0.969 0.2684 0.2773 1 0.0
Ca1 Ca+2 0.1415 0.3873 0.3263 1 0.0
Gd1 Gd+3 0 0 0 1 0.0
B2 B+3 0.9491 0.1944 0.0819 1 0.0
Ca2 Ca+2 0.2618 0.1816 0.6521 1 0.0
O6 O-2 0.2024 0 0.6087 1 0.0
O2 O-2 0.4611 -0.0746 0.749 1 0.0
O3 O-2 0.7925 0.1724 0.8854 1 0.0
