#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 18/09/2019


data_5yOhtAoR
_audit_creation_date            2019-09-18
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Appl. Phys. A"
_citation_journal_volume        74
_citation_page_first            S704
_citation_page_last             S706
_citation_article_id            ?
_citation_year                  2002
_citation_DOI                   10.1007/s003390101146

loop_
_citation_author_name
"G. Rousse"
"J. Rodriguez-Carvajal"
"C. Wurm"
"C. Masquelier"




_atomic_positions_source_database_code_ICSD  95973
_atomic_positions_source_other               .

_transition_temperature  25
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+ 1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from an icsd entry at room temperature.
One of the two different forms reported for this compound (see #0.258 for the other)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim primary irrep
Possible ferrimagnetism.
The magnetic moments of the two independent Fe sites were refined constrained to equal moduli.
;

_parent_space_group.name_H-M_alt  'R -3'
_parent_space_group.IT_number                       148
_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  148.17
_space_group_magn.name_BNS  "R -3"
_cell_length_a             8.30090
_cell_length_b             8.30090
_cell_length_c             22.50200
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,x-y,z,+1
3 -x+y,-x,z,+1
4 -x,-y,-z,+1
5 y,-x+y,-z,+1
6 x-y,x,-z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/3,y+2/3,z+2/3,+1
3 x+2/3,y+1/3,z+1/3,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 Fe 0.00000 0.00000 0.14680
Fe2 Fe 0.00000 0.00000 0.65030
P1 P 0.29090 0.00090 0.25000
O1 O 0.19090 0.99020 0.19280
O2 O 0.76700 0.91080 0.70070
O3 O 0.24140 0.80230 0.26850
O4 O 0.49910 0.87990 0.75560
Li1 Li 0.34700 0.03400 0.38400

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 0.00000 0.00000 4.76(3) 0,0,mz
Fe2 0.00000 0.00000 -4.76 0,0,mz

