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#$Date: 2018-06-09 18:39:53 +0200 (Sat 09 de Jun de 2018) $
#$Revision: 208239 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/47/1534760.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_1534760
loop_
_publ_author_name
'Schwer, H.'
'Rossel, C.'
'Kaldis, E.'
'Karpinski, J.'
_publ_section_title
;
 Effect of structural changes on the transition temperatures in
 Y2Ba4Cu7O14+x single crystals
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              165
_journal_page_last               178
_journal_volume                  211
_journal_year                    1993
_chemical_formula_sum            'Ba1.986 Ca0.035 Cu4 O8 Y0.979'
_chemical_name_systematic        '(Y0.979 Ca0.021) (Ba0.993 Ca0.007)2 Cu4 O8'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_Hall           '-A 2 2'
_space_group_name_H-M_alt        'A m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8538
_cell_length_b                   3.8661
_cell_length_c                   27.302
_cell_volume                     406.777
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Schwer_PHYCE6_1993_1605.cif
_cod_data_source_block           Ba1.986Ca0.035Cu4O8Y0.979
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10
;
_cod_original_cell_volume        406.7773
_cod_original_sg_symbol_Hall     '-C 2 2 (z,x,y)'
_cod_database_code               1534760
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 -x,-y,-z
6 -x,y,z
7 x,-y,z
8 x,y,-z
9 x,y+1/2,z+1/2
10 x,-y+1/2,-z+1/2
11 -x,y+1/2,-z+1/2
12 -x,-y+1/2,z+1/2
13 -x,-y+1/2,-z+1/2
14 -x,y+1/2,z+1/2
15 x,-y+1/2,z+1/2
16 x,y+1/2,-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 0.5 0.5 0 0.979 0.0
O2 O-2 0.5 0 0.05244 1 0.0
O4 O-2 0 0.5 0.21813 1 0.0
Ca1 Ca+2 0.5 0.5 0 0.0117 0.0
Cu2 Cu+2 0 0 0.06153 1 0.0
Ba1 Ba+2 0.5 0.5 0.1348 0.993 0.0
O1 O-2 0 0 0.14548 1 0.0
Ca2 Ca+2 0.5 0.5 0.1348 0.0117 0.0
Cu1 Cu+2 0 0 0.21299 1 0.0
O3 O-2 0 0.5 0.05232 1 0.0
