#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 27/02/2020

data_5yOhtAoR
_audit_creation_date            2020-02-27
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        270
_citation_page_first            205
_citation_page_last             211
_citation_article_id            ?
_citation_year                  2019
_citation_DOI                   10.1016/j.jssc.2018.11.022

loop_
_citation_author_name
"D. Xu"
"P.D. Battle"
"D. Ryan"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  13.8
_experiment_temperature  3.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ5-  2  2  special  primary  4  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positions and lattice from a room temperature measurement
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (9 possible)
2-dim irrep along a special direction as primary
The original reference uses the OG notation for the MSG. Here the BNS label is used.
;

_parent_space_group.name_H-M_alt  'P 4/n b m'
_parent_space_group.IT_number                       125
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'b,c,a;1/2,0,1/4'



_space_group_magn.number_BNS  52.315
_space_group_magn.name_BNS  "P_b n n a"
_cell_length_a             9.72980
_cell_length_b             9.72980
_cell_length_c             9.50300
_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+1/2,y,-z,+1
3 -x+1/2,-y+1/2,z+1/2,+1
4 x,-y+1/2,-z+1/2,+1
5 -x,-y,-z+1/2,+1
6 x+1/2,-y,z+1/2,+1
7 x+1/2,y+1/2,-z,+1
8 -x,y+1/2,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 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
_atom_site_occupancy
Gd1 Gd 0.25000 0.25000 0.25000 1.
Fe1 Fe 0.00000 0.00000 0.25000 0.5
Zn1 Zn 0.00000 0.00000 0.25000 0.5
Ge1_1 Ge 0.52640 0.25000 0.00000 1.
Ge1_2 Ge  0.25000 0.52640 0.00000 1.
O1 O 0.63500 0.36500 0.08900 1.
O2_1 O 0.15400 0.05400 0.12950 1.
O2_2 O  0.44600 0.15400 0.12950 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
Gd1 6.02(13) 0.00000 0.00000 mx,0,0
Fe1 3.84(15 0.00000 0.00000 mx,my,mz
