#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/04/2020

data_5yOhtAoR
_audit_creation_date            2020-04-07
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. Soc. Japan"
_citation_journal_volume        60
_citation_page_first            1885
_citation_page_last             1889
_citation_article_id            ?
_citation_year                  1991
_citation_DOI                   10.1143/JPSJ.60.1885

loop_
_citation_author_name
"S. Mitsuda"
"H. Yoshizawa"
"N. Yaguchi"
"M. Mekata"



_atomic_positions_source_database_code_ICSD  246913
_atomic_positions_source_other               .

_transition_temperature  10
_experiment_temperature  4.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY2  6  2  special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a room temperature determination retrieved from icsd
Above 10K, up to 16K, another magnetic phase is reported (see #1.348)
This structure was determined without using representation methods or symmetry arguments. It seems that not all possible models have been explored and checked.
The Fe magnetic moment value that is reported is given as extrapolated to 0K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
2-dim small irrep along special direction primary
;

_parent_space_group.name_H-M_alt  'R -3 m'
_parent_space_group.IT_number                       166
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/4 -1/2 3/2]

_parent_space_group.child_transform_Pp_abc  '2a+b,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '2/3a+1/3c,b,-1/3a+1/3c;7/4,-7/8,0'



_space_group_magn.number_BNS  15.91
_space_group_magn.name_BNS  "C_a 2/c"
_cell_length_a             5.29490
_cell_length_b             6.11400
_cell_length_c             34.64000
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x+1/3,y,-z+1/6,+1
3 -x+1/2,-y+1/4,-z,+1
4 x+5/6,-y+1/4,z+1/6,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/2,z+1/2,+1
3 x+1/3,y,z+2/3,+1
4 x+1/3,y+1/2,z+1/6,+1
5 x+2/3,y,z+1/3,+1
6 x+2/3,y+1/2,z+5/6,+1
7 x,y+1/2,z,-1
8 x,y,z+1/2,-1
9 x+1/3,y+1/2,z+2/3,-1
10 x+1/3,y,z+1/6,-1
11 x+2/3,y+1/2,z+1/3,-1
12 x+2/3,y,z+5/6,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1 Cu 0.00000 0.00000 0.25000
Fe1 Fe 0.00000 0.00000 0.00000
O1 O 0.00000 0.00000 0.30300

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Fe1 0.00000 0.00000 -4.0(2) mx,0,mz

