#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/10/2019


data_5yOhtAoR
_audit_creation_date            2019-10-07
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Solid State Sciences"
_citation_journal_volume        4
_citation_page_first            1273
_citation_page_last             1283
_citation_article_id            ?
_citation_year                  2002
_citation_DOI                   10.1016/S1293-2558(02)00015-8

loop_
_citation_author_name
"N.E. Khayati"
"J. Rodriguez-Carvajal"
"F. Bouree"
"T. Roisnel"
"R. Cherkaoui"
"A. Boutfessi"
"A. Boukhari"



_atomic_positions_source_database_code_ICSD  95689
_atomic_positions_source_other               .

_transition_temperature  15.5
_experiment_temperature  1.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY2+ 1  1  .  primary  6  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a room temperature experiment
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
;

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

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,3/2a+1/2c;0,0,0'



_space_group_magn.number_BNS  14.80
_space_group_magn.name_BNS  "P_a 2_1/c"
_cell_length_a             13.18420
_cell_length_b             5.16060
_cell_length_c             31.27940
_cell_angle_alpha          90.00
_cell_angle_beta           91.98
_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+3/4,y+1/2,-z+1/4,+1
3 -x,-y,-z,+1
4 x+3/4,-y+1/2,z+1/4,+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
3 x+1/2,y,z,-1
4 x,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
Cu1 Cu 0.00000 0.00000 0.00000
Fe1 Fe 0.16720 0.24230 0.05995
P1 P 0.17720 0.27540 0.45255
P2 P 0.47495 0.25290 0.41560
O1 O 0.12260 0.20760 0.49330
O2 O 0.09510 0.28380 0.41515
O3 O 0.45945 0.99790 0.43980
O4 O 0.43400 0.47550 0.44110
O5 O 0.43505 0.22530 0.37110
O6 O 0.25400 0.08280 0.44110
O7 O 0.21770 0.55280 0.45665

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Cu1 0.00000 -0.83 0.00000 mx,my,mz
Fe1 0.00000 -4.88 0.00000 mx,my,mz

