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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/57/1535798.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_1535798
loop_
_publ_author_name
'Ilyukhin, A.B.'
'Dzhurinskii, B.F.'
_publ_section_title
;
 Crystal structures of double oxoborates LnCa4O(BO3)3 (Ln=Gd, Tb, Lu) and
 Eu2CaO(BO3)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 Gd O10'
_chemical_name_systematic        'Gd 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                 101.25
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.104
_cell_length_b                   16.03
_cell_length_c                   3.5584
_cell_volume                     453.379
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Ilyukhin_ZNOKAQ_1993_1364.cif
_cod_data_source_block           B3Ca4Gd1O10
_cod_original_cell_volume        453.3793
_cod_original_formula_sum        'B3 Ca4 Gd1 O10'
_cod_database_code               1535798
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
B1 B+3 0.3764 0 0.7011 1 0.0
O3 O-2 0.2032 0 0.6043 1 0.0
Ca1 Ca+2 0 0 0 0.14 0.0
Gd1 Gd+3 0 0 0 0.86 0.0
O1 O-2 0.8252 0 0.4175 1 0.0
O6 O-2 0.7917 0.1728 -0.1149 1 0.0
Ca3 Ca+2 0.26091 0.18061 0.6529 1 0.0
O5 O-2 0.9675 0.2695 0.2746 1 0.0
B2 B+3 0.9491 0.1947 0.0798 1 0.0
Gd2 Gd+3 0.14232 0.38741 0.3283 0.07 0.0
Ca2 Ca+2 0.14232 0.38741 0.3283 0.93 0.0
O2 O-2 0.4614 -0.0743 0.7492 1 0.0
O4 O-2 0.0859 0.1434 0.0766 1 0.0
