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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/1/53/71/1537122.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_1537122
loop_
_publ_author_name
'Rosov, N.'
'Radousky, H.B.'
'Lynn, J.W.'
'Shelton, R.N.'
'Bennahmias, M.'
'Klavins, P.'
'Goodwin, T.J.'
_publ_section_title
;
 Crstal structure and magnetic ordering of rare-earth and Cu moments in R
 Ba2 Cu2 Nb O8 (R= Nd, Pr)
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              15256
_journal_page_last               15264
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'Ba2 Cu2 Nb O8 Pr'
_chemical_name_systematic        'Pr Ba2 Cu2 Nb O8'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5782
_cell_length_b                   5.5782
_cell_length_c                   23.8893
_cell_volume                     743.347
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Rosov_PRBMDO_1993_1326.cif
_cod_data_source_block           Ba2Cu2Nb1O8Pr1
_cod_original_cell_volume        743.3469
_cod_original_formula_sum        'Ba2 Cu2 Nb1 O8 Pr1'
_cod_database_code               1537122
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,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 -0.251 0.249 0.18612 1 0.0
Pr1 Pr+3 0.5 0 0.2558 0.5 0.0
O3 O-2 -0.2122 0.2878 0 1 0.0
O1 O-2 0 0 0.08143 1 0.0
Ba1 Ba+2 0.5 0 0.0974 1 0.0
Cu1 Cu+2 0 0 0.17834 1 0.0
Nb1 Nb+5 0 0 0 1 0.0
