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#$Date: 2013-05-02 23:25:50 +0300 (Thu, 02 May 2013) $
#$Revision: 84902 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/14/1511465.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_1511465
loop_
_publ_author_name
'Xu, Y.P.'
'Zhang, Y.'
'Xu, T.'
'Chen, X.L.'
'Liang, J.K.'
_publ_section_title
;
 Phase relations in the system Y2 O3 - Ca O - B2 O3
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              132
_journal_page_last               135
_journal_volume                  327
_journal_year                    2001
_chemical_formula_sum            'B Ca O4 Y'
_chemical_name_systematic        'Ca Y (B O3) O'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4354
_cell_length_b                   9.6126
_cell_length_c                   3.588
_cell_volume                     359.917
_citation_journal_id_ASTM        JALCEU
_[local]_cod_data_source_file    boron0-1_94.cif
_[local]_cod_data_source_block   B1Ca1O4Y1
_[local]_cod_cif_authors_sg_Hall '-P 2ac 2n (-x,z,y)'
_[local]_cod_chemical_formula_sum_orig 'B1 Ca1 O4 Y1'
_cod_original_cell_volume        359.9171
_cod_database_code               1511465
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-z-1/2
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
Y1 Y+3 0.0836 0.6691 0.25 0.064 0.0
O2 O-2 0.2479 0.0047 0.75 1 0.0
Y2 Y+3 0.1149 0.087 0.25 0.936 0.0
O3 O-2 -0.0078 0.1166 0.75 1 0.0
Ca2 Ca+2 0.1149 0.087 0.25 0.064 0.0
O4 O-2 0.0779 0.3517 0.25 1 0.0
O1 O-2 0.2803 0.2494 0.25 1 0.0
Ca1 Ca+2 0.0836 0.6691 0.25 0.936 0.0
B1 B+3 0.2097 0.3716 0.25 1 0.0