#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 16/03/2020

data_5yOhtAoR
_audit_creation_date            2020-03-16
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Dalton Trans."
_citation_journal_volume        46
_citation_page_first            6921
_citation_page_last             6933
_citation_article_id            ?
_citation_year                  2017
_citation_DOI                   10.1039/c7dt00975e

loop_
_citation_author_name
"D. Xu"
"M. Sale"
"M. Avdeev"
"C.D. Ling"
"P.D. Battle"




_atomic_positions_source_database_code_ICSD  257623
_atomic_positions_source_other               .

_transition_temperature  8
_experiment_temperature  1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary 2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at 3K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
1-dim irrep as primary
Weak FM is not compatible with the MSG of the structure
;

_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 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  125.367
_space_group_magn.name_BNS  "P 4'/n b m'"
_cell_length_a             9.65020
_cell_length_b             9.65020
_cell_length_c             4.85670
_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,-y+1/2,-z,+1
3 -x+1/2,y,-z,+1
4 -x+1/2,-y+1/2,z,+1
5 -x,-y,-z,+1
6 -x,y+1/2,z,+1
7 x+1/2,-y,z,+1
8 x+1/2,y+1/2,-z,+1
9 -y+1/2,x,z,-1
10 y,-x+1/2,z,-1
11 y,x,-z,-1
12 -y+1/2,-x+1/2,-z,-1
13 y+1/2,-x,-z,-1
14 -y,x+1/2,-z,-1
15 -y,-x,z,-1
16 y+1/2,x+1/2,z,-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
Zr1 Zr 0.25000 0.25000 0.50000
Mn1 Mn 0.00000 0.00000 0.50000
Ge1 Ge 0.51610 0.25000 0.00000
O1 O 0.62670 0.37330 0.16510
O2 O 0.16870 0.07320 0.26220

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1 0.00000 0.00000 4.68(2) mx,-mx,mz

