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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526133.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_1526133
loop_
_publ_author_name
'Gonzalez Gonzalez, J.C.'
'Landinez Tellez, D.A.'
'Albino Aguiar, J.'
'Bustamante Dominguez, A.'
_publ_section_title
;
 Structural refinement of (Y1-x Cax) Sr Ba Cu2.80 (P O4)0.20 Oy
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              375
_journal_page_last               378
_journal_volume                  354
_journal_year                    2001
_chemical_formula_sum            'Ba Ca0.25 Cu2.8 O7.8 P0.2 Sr Y0.75'
_chemical_name_systematic        '(Y0.75 Ca0.25) Sr Ba Cu2.8 (P O4)0.2 O7'
_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                   3.8312
_cell_length_b                   3.8312
_cell_length_c                   11.503
_cell_volume                     168.842
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            GonzalezGonzalez_PHYCE6_2001_1859.cif
_cod_data_source_block           Ba1Ca0.25Cu2.8O7.8P0.2Sr1Y0.75
_cod_original_cell_volume        168.8421
_cod_original_formula_sum        'Ba1 Ca0.25 Cu2.8 O7.8 P0.2 Sr1 Y0.75'
_cod_database_code               1526133
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
Y1 Y+3 0.5 0.5 0.5 0.75 0.0
Sr1 Sr+2 0.5 0.5 0.18677 0.5 0.0
Cu1 Cu+2 0 0 0 0.8 0.0
O1 O-2 0 0.5 0 0.5 0.0
O4 O-2 0.38371 0.22426 0 0.05 0.0
O3 O-2 0 0 0.18677 1 0.0
Cu2 Cu+2 0 0 0.35414 1 0.0
O2 O-2 0 0.5 0.35414 1 0.0
Ca1 Ca+2 0.5 0.5 0.5 0.25 0.0
Ba1 Ba+2 0.5 0.5 0.18677 0.5 0.0
O5 O-2 0 0.8492 0.13301 0.05 0.0
P1 P+5 0 0 0 0.2 0.0
