#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/05/2020


data_5yOhtAoR
_audit_creation_date            2020-05-05
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Solid State Chem."
_citation_journal_volume        32
_citation_page_first            1
_citation_page_last             8
_citation_article_id            ?
_citation_year                  1980
_citation_DOI                   10.1016/0022-4596(80)90262-5

loop_
_citation_author_name
"M.N. Trut-Dinh"
"M. Vlasse"
"M. Perrin"
"G.L. Flem"



_atomic_positions_source_database_code_ICSD  23008
_atomic_positions_source_other               .

_transition_temperature  373
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 423K
Non-standard setting Bbem of the parent space group
See #2.39 for a quite different structure model of this phase
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
weak FM along b is symmetry allowed
;

_parent_space_group.name_H-M_alt  'C m c e'
_parent_space_group.IT_number                       64
_parent_space_group.transform_Pp_abc  'c,a,b;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  'c,a,b;0,0,0'



_space_group_magn.number_BNS  64.474
_space_group_magn.name_BNS  "C m' c' a"
_cell_length_a             5.472
_cell_length_b             5.472
_cell_length_c             12.34
_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+1/2,-z+1/2,+1
3 -x,-y,-z,+1
4 x,-y+1/2,z+1/2,+1
5 -x,-y,z,-1
6 x,-y+1/2,-z+1/2,-1
7 x,y,-z,-1
8 -x,y+1/2,z+1/2,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y,z+1/2,+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 0.00000 0.00000 0.354 0.5
La1 La 0.00000 0.00000 0.354 0.5
Fe1 Fe 0.00000 0.00000 0.000 1
O1 O 0.222 0.278 0.00000  1
O2 O 0.00000 0.00000 0.172 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
Fe1 3.74 0.00000 0.00000 mx,my,0

