###############################################################################
# Gopalakrishnan, J.;Subramanian, M.A.;Torardi, C.C.;Attfield, J.P.;\
# Sleight, A.W. (1989)
# Materials Research Bulletin 24, 321-330
# Properties and Structures of R2-x Ax Cu O4 Phases: R= La, Pr and Nd; A= Sr, \
# Pb and Cd
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_202885-ICSD
_database_code_ICSD                202885
_audit_creation_date               1990-06-08
_chemical_name_systematic
'Dineodymium copper oxide'
_chemical_formula_structural       
'Nd2 Cu O4'
_chemical_formula_sum              
'Cu1 Nd2 O4'
_publ_section_title                
'Cu1 Nd2 O4'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Materials Research Bulletin' 1989 24 321 330 MRBUAC
loop_
_publ_author_name
Gopalakrishnan, J.;Subramanian, M.A.;Torardi, C.C.;Attfield, J.P.;\
Sleight, A.W.
_cell_length_a                     3.9385(1)
_cell_length_b                     3.9385(1)
_cell_length_c                     12.1465(3)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       188.4108
_cell_formula_units_Z              2.000
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_refine_ls_R_factor_all            0.0758
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
   1   'y, x, -z'
   2   '-y, -x, -z'
   3   '-y, x, -z'
   4   'y, -x, -z'
   5   '-x, y, -z'
   6   'x, -y, -z'
   7   'x, y, -z'
   8   '-x, -y, -z'
   9   '-y, -x, z'
  10   'y, x, z'
  11   'y, -x, z'
  12   '-y, x, z'
  13   'x, -y, z'
  14   '-x, y, z'
  15   '-x, -y, z'
  16   'x, y, z'
  17   'y+1/2, x+1/2, -z+1/2'
  18   '-y+1/2, -x+1/2, -z+1/2'
  19   '-y+1/2, x+1/2, -z+1/2'
  20   'y+1/2, -x+1/2, -z+1/2'
  21   '-x+1/2, y+1/2, -z+1/2'
  22   'x+1/2, -y+1/2, -z+1/2'
  23   'x+1/2, y+1/2, -z+1/2'
  24   '-x+1/2, -y+1/2, -z+1/2'
  25   '-y+1/2, -x+1/2, z+1/2'
  26   'y+1/2, x+1/2, z+1/2'
  27   'y+1/2, -x+1/2, z+1/2'
  28   '-y+1/2, x+1/2, z+1/2'
  29   'x+1/2, -y+1/2, z+1/2'
  30   '-x+1/2, y+1/2, z+1/2'
  31   '-x+1/2, -y+1/2, z+1/2'
  32   'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Nd3+     3.
Cu2+     2.
O2-     -2.
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Nd1 Nd3+ 4 e 0 0 0.3515(1) 0.8(1) 1.
Cu1 Cu2+ 2 a 0 0 0 0.8(1) 1.
O1 O2- 4 c 0 0.5 0 0.8(1) 1.
O2 O2- 4 d 0 0.5 0.25 0.8(1) 1.
#End of data_202885-ICSD

