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

data_5yOhtAoR
_audit_creation_date            2018-09-29
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Solid State Chem."
_citation_journal_volume        269
_citation_page_first            107
_citation_page_last             112
_citation_article_id            ?
_citation_year                  2019
_citation_DOI                   10.1016/j.jssc.2018.09.018

loop_
_citation_author_name
"D. Xu"
"M. Avdeev"
"P.D. Battle"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  20
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ1-  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (9 possible)
1-dim irrep active
;

_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  'a,b,c;0,0,1/4'



_space_group_magn.number_BNS  126.384
_space_group_magn.name_BNS  "P_c 4/n n c"
_cell_length_a             9.64080
_cell_length_b             9.64080
_cell_length_c             9.49380
_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 -y+1/2,x,z,+1
3 y,-x+1/2,z,+1
4 x,-y+1/2,-z,+1
5 -x+1/2,y,-z,+1
6 -x+1/2,-y+1/2,z,+1
7 y,x,-z,+1
8 -y+1/2,-x+1/2,-z,+1
9 -x,-y,-z+1/2,+1
10 y+1/2,-x,-z+1/2,+1
11 -y,x+1/2,-z+1/2,+1
12 -x,y+1/2,z+1/2,+1
13 x+1/2,-y,z+1/2,+1
14 x+1/2,y+1/2,-z+1/2,+1
15 -y,-x,z+1/2,+1
16 y+1/2,x+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,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
Er1 Er 0.25000 0.25000 0.25000 1.
Fe1 Fe 0.00000 0.00000 0.25000 0.5
Cu1 Cu 0.00000 0.00000 0.25000 0.5
Ge1 Ge 0.52350 0.25000 0.00000 1.
O1 O 0.63310 0.36690 0.09290 1.
O2 O 0.15750 0.06170 0.12850 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
Er1 0.00000 0.00000 7.90(3) 0,0,mz
Fe1 0.00000 0.00000 2.43(2) mx,-mx,mz
