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


data_5yOhtAoR
_audit_creation_date            2018-09-29
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Solid State Chem."
_citation_journal_volume        269
_citation_page_first            80
_citation_page_last             86
_citation_article_id            ?
_citation_year                  2019
_citation_DOI                   10.1016/j.jssc.2018.09.012

loop_
_citation_author_name
"E.C. Hunter"
"S. Mousdale"
"P.D. Battle"
"M. Avdeev"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  130
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep active
reported weak FM along c is symmetry dictated
;

_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  62.446
_space_group_magn.name_BNS  "P n' m' a"
_cell_length_a             5.49132
_cell_length_b             7.7091
_cell_length_c             5.42625
_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,z+1/2,+1
3 -x,-y,-z,+1
4 x+1/2,y,-z+1/2,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x,y+1/2,-z,-1
7 -x+1/2,y+1/2,z+1/2,-1
8 x,-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
_atom_site_occupancy
Ca1 Ca 0.03730 0.25000 0.99140 0.66667
Pr1 Pr 0.03730 0.25000 0.99140 0.33333
Cr1 Cr 0.00000 0.00000 0.50000 0.66667
Ta1 Ta 0.00000 0.00000 0.50000 0.33333
O1 O 0.48190 0.25000 0.07520 1.
O2 O 0.20870 0.54000 0.20730 1.

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 0.00000 2.00(2) 0.00000 mx,my,mz
