#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/39/1533990.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_1533990
loop_
_publ_author_name
'Kopnin, E.M.'
'Matveev, A.T.'
'Salamakha, P.S.'
'Sato, A.'
'Takayama-Muromachi, E.'
_publ_section_title
;
 Crystal structures of C Ca2 Cu O5 and C Sr1.9 Ca1.1 Cu2 O7 refined from
 single crystal data
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              163
_journal_page_last               168
_journal_volume                  384
_journal_year                    2003
_chemical_formula_sum            'C Ca1.11 Cu2 O7 Sr1.89'
_chemical_name_systematic        '(Ca1.11 Sr1.89) (Cu O2)2 (C O3)'
_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                   3.8753
_cell_length_b                   3.8753
_cell_length_c                   10.6765
_cell_volume                     160.339
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Kopnin_PHYCE6_2003_591.cif
_cod_data_source_block           C1Ca1.11Cu2O7Sr1.89
_cod_original_cell_volume        160.3391
_cod_original_formula_sum        'C1 Ca1.11 Cu2 O7 Sr1.89'
_cod_database_code               1533990
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 0.141 0 0.104 0.25 0.0
Cu1 Cu+2 0 0 0.3498 1 0.0
Ca2 Ca+2 0.5 0.5 0.5 0.746 0.0
C1 C+4 0 0 0 1 0.0
O1 O-2 0.5 0 0.3479 1 0.0
Sr2 Sr+2 0.5 0.5 0.5 0.254 0.0
Sr1 Sr+2 0.5 0.5 0.18835 0.818 0.0
Ca1 Ca+2 0.5 0.5 0.18835 0.182 0.0
O3 O-2 0.335 0 0 0.25 0.0
