#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 22/03/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-22
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        5
_citation_page_first            93
_citation_page_last             97
_citation_article_id            .
_citation_year                  1967
_citation_DOI                   10.1016/0038-1098(67)90001-4

loop_
_citation_author_name
"E. F. Bertaut"
"J. Mareschal"

_atomic_positions_source_database_code_ICSD  28488
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  224
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  1   1   .   primary  4  .
mGM1+  1   1   .   primary  4  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 293K. A typo in the O2 position has been corrected.
Non-standard setting Pbnm of the parent space group
See also Bertaut et al., J. Appl. Phys. 37, 1038 (1966).
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps involved as primary: two order parameters in the sense of Landau theory, and possibly two phase transitions as in other similar compounds. 
Weak FM along c is symmetry allowed, but not present in the model.
;

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



_space_group_magn.number_BNS  11.50
_space_group_magn.name_BNS  "P 2_1/m"
_cell_length_a             5.42500
_cell_length_b             5.47800
_cell_length_c             7.69400
_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,-y,z+1/2,+1 
3 -x,-y,-z,+1 
4 x,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
Nd1_1 Nd 0.49000 0.46500 0.75000
Nd1_2 Nd  0.99000 0.03500 0.25000
Cr1_1 Cr 0.50000 0.00000 0.00000
Cr1_2 Cr  0.00000 0.50000 0.00000
O1_1 O 0.56000 0.02500 0.75000
O1_2 O  0.06000 0.47500 0.25000
O2_1 O -0.28500 0.29200 0.05000
O2_2 O  0.21500 0.20800 0.95000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
Nd1_1 0.00000 0.00000 -1.3 0,0,mz      1.3
Nd1_2 0.00000 0.00000 1.3 0,0,mz       1.3
Cr1_1 1.28 2.21 0.00000 mx,my,mz     2.55
Cr1_2 -1.28 -2.21 0.00000 mx,my,mz   2.55

