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#$Date: 2015-10-09 14:00:42 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161724 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/47/1534752.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_1534752
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            'Ba1.988 Ca0.043 Cu4 O8 Y0.969'
_chemical_name_systematic        '(Y0.969 Ca0.031) (Ba0.994 Ca0.006)2 Cu4 O8'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2 (z,x,y)'
_symmetry_space_group_name_H-M   'C m m m (c,a,b)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8445
_cell_length_b                   3.8721
_cell_length_c                   27.2714
_cell_volume                     405.970
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Schwer_PHYCE6_1993_1602.cif
_cod_data_source_block           Ba1.988Ca0.043Cu4O8Y0.969
_cod_cif_authors_sg_H-M          'A m m m'
_cod_original_cell_volume        405.9699
_cod_database_code               1534752
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,y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,z+1/2
-x,-y+1/2,-z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
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
O2 O-2 0.5 0 0.05265 1 0.0
Ca1 Ca+2 0.5 0.5 0 0.031 0.0
Ca2 Ca+2 0.5 0.5 0.13477 0.006 0.0
O4 O-2 0 0.5 0.21814 1 0.0
Cu2 Cu+2 0 0 0.06152 1 0.0
Ba1 Ba+2 0.5 0.5 0.13477 0.994 0.0
O1 O-2 0 0 0.1453 1 0.0
Y1 Y+3 0.5 0.5 0 0.969 0.0
Cu1 Cu+2 0 0 0.21297 1 0.0
O3 O-2 0 0.5 0.05241 1 0.0