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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/93/1539379.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_1539379
loop_
_publ_author_name
'Siegrist, T.'
'Roth, R.S.'
'Zahurak, S.M.'
'Murphy, D.W.'
_publ_section_title
;
 The parent structure of the layered high-temperature superconductors
;
_journal_name_full               'Nature (London)'
_journal_page_first              231
_journal_page_last               232
_journal_volume                  334
_journal_year                    1988
_chemical_formula_sum            'Ca0.86 Cu O2 Sr0.14'
_chemical_name_systematic        'Ca.86 Sr.14 Cu O2'
_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                   3.8611
_cell_length_b                   3.8611
_cell_length_c                   3.1995
_cell_volume                     47.698
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Siegrist_NATUAS_1988_1696.cif
_cod_data_source_block           Ca0.86Cu1O2Sr0.14
_cod_original_cell_volume        47.69844
_cod_original_formula_sum        'Ca0.86 Cu1 O2 Sr0.14'
_cod_database_code               1539379
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
Ca1 Ca+2 0.5 0.5 0.5 0.86 0.0
Sr1 Sr+2 0.5 0.5 0.5 0.14 0.0
Cu1 Cu+2 0 0 0 1 0.0
O1 O-2 0 0.5 0 1 0.0
