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


data_5yOhtAoR
_audit_creation_date            2018-10-22
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Magn. Magn. Mater."
_citation_journal_volume        15-18
_citation_page_first            1021
_citation_page_last             1022
_citation_article_id            ?
_citation_year                  1980
_citation_DOI                   10.1016/0304-8853(80)90869-0

loop_
_citation_author_name
"L. Regnault"
"J. Henry"
"J. Rossat-Mignod"
"A.D. Combarieu"



_atomic_positions_source_database_code_ICSD  411629
_atomic_positions_source_other               .

_transition_temperature  24
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2-GM3-  2  2  general  primary  2  .
mGM1-    1  1   .   secondary 1 no

_exptl_crystal_magnetic_properties_details
;
Neutron diffraction with no further specification
m components given with non-significant digits to yield the reported moment modulus: 2.0(2)
;

_active_magnetic_irreps_deta.ils
;
1k magnetic structure
2-dim irrep (physically irreducible) active
The symmetry-allowed mz spin component corresponds to a secondary irrep.
;

_parent_space_group.name_H-M_alt  'R -3'
_parent_space_group.IT_number                       148
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

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



_space_group_magn.number_BNS  2.6
_space_group_magn.name_BNS  "P -1'"
_cell_length_a             4.80000
_cell_length_b             4.80000
_cell_length_c             23.27300
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x,-y,-z,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/3,y+2/3,z+2/3,+1
3 x+2/3,y+1/3,z+1/3,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni1 Ni 0.00000 0.00000 0.16894
P1 P 0.00000 0.00000 0.57336
Ba1 Ba 0.00000 0.00000 0.00000
O1 O 0.00000 0.00000 0.63796
O2_1 O 0.34240 0.36430 0.21847
O2_2 O  0.63570 0.97810 0.21847
O2_3 O  0.02190 0.65760 0.21847

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Ni1 2.310 1.155 0.00000 mx,my,mz
