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

data_5yOhtAoR
_audit_creation_date            2018-10-16
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Solid State Chem."
_citation_journal_volume        177
_citation_page_first            2044
_citation_page_last             2052
_citation_article_id            ?
_citation_year                  2004
_citation_DOI                   10.1016/j.jssc.2004.02.012

loop_
_citation_author_name
"C. Autret"
"C. Martin"
"M. Hervieu"
"R. Retoux"
"B. Raveau"
"G. Andre"
"F. Bouree"




_atomic_positions_source_database_code_ICSD  99523
_atomic_positions_source_other               .

_transition_temperature  110
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4-  1  1  .  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD, EM
Coexistence with another minority phase having a spin arrangement analogous to the one of K2NiF4 (#1.249).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'I 4_1/a c d'
_parent_space_group.IT_number                       142
_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  142.568
_space_group_magn.name_BNS  "I 4_1'/a' c d'"
_cell_length_a             5.18680
_cell_length_b             5.18680
_cell_length_c             24.12280
_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 y+3/4,x+1/4,-z+1/4,+1
4 -y+1/4,-x+1/4,-z+1/4,+1
5 y+3/4,-x+1/4,-z+3/4,+1
6 -y+1/4,x+1/4,-z+3/4,+1
7 -x,y,z+1/2,+1
8 x,-y+1/2,z+1/2,+1
9 -y+1/4,x+3/4,z+1/4,-1
10 y+3/4,-x+3/4,z+1/4,-1
11 x+1/2,-y+1/2,-z,-1
12 -x+1/2,y,-z,-1
13 -x,-y,-z,-1
14 x,y+1/2,-z,-1
15 -y+3/4,-x+1/4,z+1/4,-1
16 y+1/4,x+1/4,z+1/4,-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+1/2,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1 Ca 0.00000 0.25000 0.55107
Mn1 Mn 0.00000 0.25000 0.37500
O1 O 0.00000 0.25000 0.45562
O2 O 0.21004 0.46004 0.12500

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 2.4(1) 0,0,mz
