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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/84/1008448.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_1008448
loop_
_publ_author_name
'Karpinski, J'
'Kaldis, E'
'Rusiecki, S'
'Jilek, E'
'Fischer, P'
'Bordet, P'
'Chaillout, C'
'Chenavas, J'
'Hodeau, J L'
'Marezio, M'
_publ_section_title
;
Two New Bulk Superconducting Phases in the Y-Ba-Cu-O System: Y Ba₂
Cu~3.5~ O₇₊ₓ (Tc 40K) and Y Ba₂ Cu₄ O₈₊ₓ (Tc 80K)
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              129
_journal_page_last               137
_journal_paper_doi               10.1016/0022-5088(89)90262-2
_journal_volume                  150
_journal_year                    1989
_chemical_formula_structural     'Y Ba2 Cu4 O8.06'
_chemical_formula_sum            'Ba2 Cu4 O8.06 Y'
_chemical_name_systematic        'Yttrium barium copper oxide (1/2/4/8.1)'
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      65
_symmetry_space_group_name_Hall  '-A 2 2'
_symmetry_space_group_name_H-M   'A m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8415(3)
_cell_length_b                   3.8707(3)
_cell_length_c                   27.240(2)
_cell_volume                     405.0
_refine_ls_R_factor_all          0.068
_cod_database_code               1008448
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,-y,z
-x,y,-z
-x,-y,-z
-x,y,z
x,y,-z
x,-y,z
x,1/2+y,1/2+z
x,1/2-y,1/2-z
-x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,1/2-y,1/2-z
-x,1/2+y,1/2+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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Y1 Y3+ 2 c 0.5 0.5 0. 1. 0 d
Ba1 Ba2+ 4 j 0.5 0.5 0.1356(1) 1. 0 d
Cu1 Cu2+ 4 i 0. 0. 0.2127(1) 1. 0 d
Cu2 Cu2+ 4 i 0. 0. 0.0614(1) 1. 0 d
O1 O2- 4 i 0. 0. 0.1454(1) 1. 0 d
O2 O2- 4 l 0.5 0. 0.0524(1) 1. 0 d
O3 O2- 4 l 0. 0.5 0.0528(1) 1. 0 d
O4 O2- 4 l 0. 0.5 0.2187(1) 0.996(8) 0 d
O5 O2- 4 l 0.5 0. 0.254(5) 0.032(6) 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Y3+ 3.000
Ba2+ 2.000
Cu2+ 2.280
O2- -2.000
