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


data_5yOhtAoR
_audit_creation_date            2018-10-23
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Am. Chem. Soc."
_citation_journal_volume        135
_citation_page_first            2776
_citation_page_last             2786
_citation_article_id            ?
_citation_year                  2013
_citation_DOI                   10.1021/ja312038g

loop_
_citation_author_name
"J. Cheng"
"W. Tian"
"J. Zhou"
"V.M. Lynch"
"H. Steinfink"
"A. Manthiram"
"A.F. May"
"V.O. Garlea"
"J.C. Neuefeind"
"J. Yan"




_atomic_positions_source_database_code_ICSD  237747
_atomic_positions_source_other               .

_transition_temperature  7
_experiment_temperature  3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mA1  2  2  special  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from refinement at 25K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
2-dim irrep active along special direction.
Only one irrep exists for the observed propagation vector. Two possible MSGs for the same irrep.
;

_parent_space_group.name_H-M_alt  'C 2/c'
_parent_space_group.IT_number                       15
_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  '-1/2a+1/2b,1/2a+1/2b,-c;0,0,1/4'



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_cell_length_a             9.85100
_cell_length_b             8.75700
_cell_length_c             11.16600
_cell_angle_alpha          90.00
_cell_angle_beta           105.51
_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,-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+1/2,z,+1
3 x,y,z+1/2,-1
4 x+1/2,y+1/2,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
Na1 Na 0.00000 0.20119 0.12500    1
Mn1 Mn 0.00000 0.58767 0.12500    1
Ge1_1 Ge 0.29181 0.40949 0.12143  1
Ge1_2 Ge  0.70819 0.40949 0.12857 1
O1_1 O 0.60786 0.91957 0.07612    1
O1_2 O  0.39214 0.91957 0.17388   1
O2_1 O 0.36161 0.48786 0.00721    1
O2_2 O  0.63839 0.48786 0.24279   1
O3_1 O 0.63625 0.22434 0.09503    1
O3_2 O  0.36375 0.22434 0.15497   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
Mn1 0.9(2) 0.4(4) 1.8(1) mx,my,mz
