#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 15/08/2020


data_5yOhtAoR
_audit_creation_date            2020-08-15
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW LETTERS"
_citation_journal_volume        106
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            057201
_citation_year                  2011
_citation_DOI                   10.1103/PhysRevLett.106.057201

loop_
_citation_author_name
"J.-S. Zhou"
"J.A. Alonso"
"A. Muonz"
"M.T. Fernandez-Diaz"
"J.B. Goodenough"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  310
_experiment_temperature  295

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Structure determined at 2.18 GPa (at this pressure TN about 310K)
The original reference also reports the structure in the same phase at 4.0 GPa
Parent structure in non-standard setting Pbnm
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
Irrep labels correspond to the standard setting Pnma of the parent space group
Gx ordering (Gz in the standard Pnma setting).
This model differs from the structure reported at ambient pressure and 5K (see #0.323), where the ordering is Gx type in the standard Pnam setting (MSG Pnma)
The present structure is expected to have weak FM along z (Pbnm setting), while the model in #0.323 is incompatible with any FM
;

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



_space_group_magn.number_BNS  62.448
_space_group_magn.name_BNS  "P n' m a'"
_cell_length_a             5.4962(3)
_cell_length_b             5.4962
_cell_length_c             7.7202(4)
_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
5 -x+1/2,y+1/2,-z+1/2,-1
6 x+1/2,-y+1/2,-z,-1
7 x+1/2,-y+1/2,z+1/2,-1
8 -x+1/2,y+1/2,z,-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
La1 La 0.9916(11) 0.0194(13) 0.25000
Cr1 Cr 0.50000 0.00000 0.00000
O1 O 0.0660(14) 0.4953(20) 0.25000
O2 O 0.2306(11) 0.2258(11) 0.5347(6)

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Cr1 0.98(9) 0.00000 0.00000 mx,my,mz

