#------------------------------------------------------------------------------
#$Date: 2015-10-05 13:26:39 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159939 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/36/1533675.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_1533675
loop_
_publ_author_name
'Song, G.B.'
'Han, C.Q.'
'Chen, X.L.'
'Liu, Q.L.'
'Liang, J.K.'
'Rao, G.H.'
'Zhou, Y.Q.'
'Liu, F.S.'
_publ_section_title
;
 Subsolidus phase relation and crystal structure of compounds in the Pr Ox
 - Ca O - Cu O system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2394
_journal_page_last               2403
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ca2.4 Cu5 O10 Pr1.6'
_chemical_name_systematic        'Ca2.4 Pr1.6 (Cu5 O10)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 136.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.123
_cell_length_b                   6.3693
_cell_length_c                   15.543
_cell_volume                     960.651
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Song_JSSCBI_2004_1775.cif
_cod_data_source_block           Ca2.4Cu5O10Pr1.6
_cod_original_cell_volume        960.6508
_cod_database_code               1533675
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
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
O4 O-2 0.35 0 0.375 1 0.0
O2 O-2 0.15 0 0.375 1 0.0
O9 O-2 0.85 0.5 0.375 1 0.0
O1 O-2 0.05 0.5 0.375 1 0.0
Pr4 Pr+3 -0.1783 0.7466 0.0092 0.4 0.0
Pr1 Pr+3 0.4344 0.2506 0.5047 0.4 0.0
O10 O-2 0.95 0 0.375 1 0.0
O5 O-2 0.45 0.5 0.375 1 0.0
Ca3 Ca+2 0.8799 0.2437 0.0067 0.6 0.0
Cu1 Cu+2 0.3544 0.5137 0.7581 1 0.0
O7 O-2 0.65 0.5 0.375 1 0.0
O3 O-2 0.25 0.5 0.375 1 0.0
Ca1 Ca+2 0.4344 0.2506 0.5047 0.6 0.0
Pr2 Pr+3 0.371 0.7611 0.0119 0.4 0.0
Cu4 Cu+2 0.8555 0.0096 0.7547 1 0.0
Cu2 Cu+2 0.4401 0.003 0.739 1 0.0
Cu3 Cu+2 0.7605 0.4857 0.7488 1 0.0
Pr3 Pr+3 0.8799 0.2437 0.0067 0.4 0.0
O6 O-2 0.55 0 0.375 1 0.0
O8 O-2 0.75 0 0.375 1 0.0
Cu5 Cu+2 0.9421 0.4726 0.7499 1 0.0
Ca2 Ca+2 0.371 0.7611 0.0119 0.6 0.0
Ca4 Ca+2 -0.1783 0.7466 0.0092 0.6 0.0
