##CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 27/02/2018 03:00:57


data_5yOhtAoR
_audit_creation_date            2018-02-27
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "JOURNAL OF SOLID STATE CHEMISTRY"
_citation_journal_volume        8
_citation_page_first            182
_citation_page_last             188
_citation_article_id            ?
_citation_year                  1973
_citation_DOI                   10.1016/0022-4596(73)90012-1

loop_
_citation_author_name
"D. Fruchart"
"E. Bertaut"
"B.L. Clerc"
"L.D. Khoï"
"P. Veillet"
"G. Lorthioir"
"M.E. Fruchart"
"R. Fruchart"




_atomic_positions_source_database_code_ICSD  618284
_atomic_positions_source_other               .

_transition_temperature  233
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  3  3  special  primary  2  .
mR4+   3  3  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
ND
based also on (J. Phys. Soc. Jpn 44, 781 (1978))
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two 3-dim irreps are active (14 different are possible MSGs for the action of these two irreps)
A similar structure is reported for Mn3GaC0.95
A small tetrahedral strain of the lattice, in accordance with the tetragonal symmetry of the system is reported.
;

_parent_space_group.name_H-M_alt  'P  m  -3  m'
_parent_space_group.IT_number                       221
_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]
k2 [1/2 [1/2 1/2] ]

_parent_space_group.child_transform_Pp_abc  'a+b,-a+b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'



_space_group_magn.number_BNS  139.537
_space_group_magn.name_BNS  "I  4/m  m'  m'"
_cell_length_a             5.54800
_cell_length_b             5.54800
_cell_length_c             7.84600
_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,x,z,+1
3 y,-x,z,+1
4 -x,-y,z,+1
5 -x,-y,-z,+1
6 y,-x,-z,+1
7 -y,x,-z,+1
8 x,y,-z,+1
9 x,-y,-z,-1
10 -x,y,-z,-1
11 y,x,-z,-1
12 -y,-x,-z,-1
13 -x,y,z,-1
14 x,-y,z,-1
15 -y,-x,z,-1
16 y,x,z,-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
C1 C 0.00000 0.50000 0.25000
Mn1_1 Mn 0.25000 0.25000 0.25000
Mn1_2 Mn  0.00000 0.50000 0.00000
Zn1_1 Zn 0.00000 0.00000 0.00000
Zn1_2 Zn  0.00000 0.00000 0.50000

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_1 1.73 1.73 1.2 mx,mx,mz
Mn1_2 0.00000 0.00000 1.6 0,0,mz


