#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 22/03/2020

data_5yOhtAoR
_audit_creation_date            2020-03-22
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Chem. Minerals"
_citation_journal_volume        44
_citation_page_first            669
_citation_page_last             684
_citation_article_id            ?
_citation_year                  2017
_citation_DOI                   10.1007/s00269-017-0892-3

loop_
_citation_author_name
"G.J. Redhammer"
"A. Senyshyn"
"S. Lebernegg"
"G. Tippelt"
"E. Dachs"
"G. Roth"



_atomic_positions_source_database_code_ICSD  258798
_atomic_positions_source_other               .

_transition_temperature  15
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1+  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from data at 20K (retrieved from icsd), except for the unit cell parameters.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
See entry 1.276 for a similar structure
;

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

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

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



_space_group_magn.number_BNS  14.80
_space_group_magn.name_BNS  "P_a 2_1/c"
_cell_length_a             19.9652
_cell_length_b             8.86657
_cell_length_c             5.50179
_cell_angle_alpha          90.00
_cell_angle_beta           108.286
_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+1/2,-z+1/2,+1
3 -x+1/2,-y,-z,+1
4 x,-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
2 x+1/2,y,z,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1 Na 0.12980 0.44380 0.72900 0.69
Li1 Li 0.29480 0.44380 0.72900 0.31
Fe1 Fe 0.12580 0.65360 0.24260 1.
Ge1 Ge 0.01997 0.34420 0.24450 1.
Ge2 Ge 0.27020 0.84300 0.23060 1.
O1 O 0.42785 0.33580 0.14630 1.
O2 O 0.05380 0.52290 0.28820 1.
O3 O 0.05600 0.26140 0.54780 1.
O4 O 0.17875 0.82830 0.12260 1.
O5 O 0.30425 0.01980 0.31750 1.
O6 O 0.30680 0.73040 0.50580 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
Fe1 3.69(3) 0.0 -0.02(2) mx,my,mz

