#\#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  98361
_atomic_positions_source_other               .

_transition_temperature  23
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1  1  . primary  6  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from an icsd entry at room temperature, except for the unit cell parameters that are taken from the report on the magnetic structure.
One of the two different forms reported for this compound (see #0.259 for the other)
;

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

_parent_space_group.name_H-M_alt  'P 2_1/n'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,-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  'a,-c,a+b;0,0,0'



_space_group_magn.number_BNS  14.79
_space_group_magn.name_BNS  "P 2_1'/c'"
_cell_length_a             8.5599
_cell_length_b             11.9965
_cell_length_c             8.6096
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          90.559

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+1/2,-y+1/2,z+1/2,-1
4 x+1/2,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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 Fe 0.24620 0.10790 0.46190
Fe2 Fe 0.75410 0.39500 0.47080
P1 P 0.10300 0.14840 0.10690
P2 P 0.60393 0.34950 0.11600
P3 P 0.03590 0.49320 0.25120
O1 O 0.42920 0.33090 0.08850
O2 O 0.92370 0.14970 0.11510
O3 O 0.35270 0.26200 0.48060
O4 O 0.80220 0.21930 0.49720
O5 O 0.16690 0.03890 0.05800
O6 O 0.64550 0.47130 0.09200
O7 O 0.45070 0.06890 0.36780
O8 O 0.92730 0.40370 0.31320
O9 O 0.17090 0.43170 0.17100
O10 O 0.59790 0.07010 0.12730
O11 O 0.16350 0.18680 0.26360
O12 O 0.63740 0.31680 0.28680
Li1 Li 0.28800 0.32000 0.27500
Li2 Li 0.57100 0.20200 0.41900
Li3 Li 0.90100 0.24300 0.29100

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 4.7(3) 0.00000 0.00000 mx,my,mz
Fe2 -4.0(3) 0.00000 0.00000 mx,my,mz

