#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/10/2019


data_5yOhtAoR
_audit_creation_date            2019-10-07
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        93582
_citation_journal_volume        "Eur. Phys. J. B"
_citation_page_first            22
_citation_page_last             429
_citation_article_id            442
_citation_year                  2001
_citation_DOI                   10.1007/s100510170093

loop_
_citation_author_name
"N.E. Khayati"
"R.C.E. Moursli"
"J. Rodriguez-Carvajal"
"G. Andre"
"N. Blanchard"
"F. Bouree"
"G. Collin"
"T. Roisnel"




_atomic_positions_source_database_code_ICSD  93581
_atomic_positions_source_other               .

_transition_temperature  178
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+  1  1  .  primary  4  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a room temperature measurement
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
;

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  'a,b,c;0,0,0'



_space_group_magn.number_BNS  62.441
_space_group_magn.name_BNS  "P n m a"
_cell_length_a             7.18820
_cell_length_b             6.39240
_cell_length_c             7.48470
_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+1/2,-y+1/2,-z+1/2,+1
3 -x,y+1/2,-z,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,+1
6 -x+1/2,y+1/2,z+1/2,+1
7 x,-y+1/2,z,+1
8 x+1/2,y,-z+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+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 0.00000
Fe1 Fe 0.14430 0.25000 0.70740
P1 P 0.37190 0.25000 0.14240
O1 O 0.39880 0.25000 0.64590
O2 O 0.19420 0.25000 0.02520
O3 O 0.04360 0.25000 0.47290
O4 O 0.36780 0.05660 0.26330

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 0.00000 2.03(4) 0.00000 mx,my,mz
Fe1 0.00000 4.09(4) 0.00000 0,my,0

