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#$Date: 2015-09-09 11:34:42 +0200 (Wed 09 de Sep de 2015) $
#$Revision: 155678 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/05/1530548.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_1530548
loop_
_publ_author_name
'Parise, J.B.'
'McCarron, E.M.'
_publ_section_title
;
 The structure of the 44 K superconductor (Y1-x Cax) Ba2 Cu3 O6+delta
 (delta <= 0.2)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              188
_journal_page_last               197
_journal_volume                  83
_journal_year                    1989
_chemical_formula_sum            'Ba2 Ca0.26 Cu3 O6 Y0.74'
_chemical_name_systematic        '(Y0.74 Ca0.26) Ba2 Cu3 O6'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.854
_cell_length_b                   3.854
_cell_length_c                   11.809
_cell_volume                     175.403
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Parise_JSSCBI_1989_1893.cif
_cod_data_source_block           Ba2Ca0.26Cu3O6Y0.74
_cod_original_cell_volume        175.4028
_cod_database_code               1530548
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
O2 O-2 0 0.5 0.3753 1 0.0
Cu1 Cu+1 0 0 0 1 0.0
O1 O-2 0 0 0.1521 1 0.0
Ba1 Ba+2 0.5 0.5 0.1933 1 0.0
Cu2 Cu+1 0 0 0.3614 1 0.0
Ca1 Ca+2 0.5 0.5 0.5 0.26 0.0
Y1 Y+3 0.5 0.5 0.5 0.74 0.0
