#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 24/04/2020

data_5yOhtAoR
_audit_creation_date            2020-04-24
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        247
_citation_page_first            13
_citation_page_last             19
_citation_article_id            ?
_citation_year                  2017
_citation_DOI                   10.1016/j.jssc.2016.12.021

loop_
_citation_author_name
"C. Delacotte"
"Y. Breard"
"V. Caignaert"
"V. Hardy"
"J. Greneche"
"S. Hebert"
"E. Suard"
"D. Pelloquin"



_atomic_positions_source_database_code_ICSD  258572
_atomic_positions_source_other               .

_transition_temperature  125
_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  9  .

_exptl_crystal_magnetic_properties_details
;
NPD
Half unit cell parameter a, compared with other reports of the position structure.
Different magnetic phase between 360K and 125K (see #0.357)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P 2_1/m'
_parent_space_group.IT_number                       11
_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  11.54
_space_group_magn.name_BNS  "P 2_1'/m'"
_cell_length_a             3.04540
_cell_length_b             17.96590
_cell_length_c             5.24820
_cell_angle_alpha          90.00
_cell_angle_beta           107.01
_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
3 -x,y+1/2,-z,-1
4 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
Ca1 Ca 0.78400 0.25000 0.57150
Fe1 Fe 0.27420 0.42480 0.54800
Fe2 Fe 0.47040 0.65370 0.92570
Fe3 Fe 0.00000 0.50000 0.00000
O1 O 0.65200 0.25000 0.91440
O2 O 0.90510 0.10650 0.82430
O3 O 0.66070 0.03180 0.28360
O4 O 0.18100 0.16820 0.35000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Fe1 0.0 -3.8 0.0 mx,my,mz
Fe2 0.0 3.9 0.0 mx,my,mz
Fe3 0.0 3.5 0.0 mx,my,mz

