#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 18/03/2018 00:39:36


data_5yOhtAoR
_audit_creation_date            2018-03-18
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        66
_citation_page_first            219
_citation_page_last             224
_citation_article_id            ?
_citation_year                  1987
_citation_DOI                   10.1016/0304-8853(87)90294-0

loop_
_citation_author_name
"P. Lacorre"
"M. Leblanc"
"J. Pannetier"
"G. Ferey"




_atomic_positions_source_database_code_ICSD  60896
_atomic_positions_source_other               .

_transition_temperature  4
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3- 1  1  .  primary  9  .

_exptl_crystal_magnetic_properties_details
;
NPD
Phase alpha
Positional structure from room temperature measurement
;

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

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       62
_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  62.443
_space_group_magn.name_BNS  "Pn'ma"
_cell_length_a             15.76000
_cell_length_b             7.43000
_cell_length_c             18.38000
_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+1/2,-y+1/2,-z+1/2,+1
3 x,-y+1/2,z,+1
4 x+1/2,y,-z+1/2,+1
5 -x,y+1/2,-z,-1
6 -x+1/2,-y,z+1/2,-1
7 -x,-y,-z,-1
8 -x+1/2,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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cr1 Cr 0.36848 0.99940 0.63095
Cr2 Cr 0.13569 0.99813 0.62642
Cr3 Cr 0.25295 0.99909 0.45300
K1 K 0.95540 0.25000 0.53210
K2 K 0.03970 0.25000 0.97680
K3 K 0.06880 0.25000 0.31930
K4 K 0.39960 0.25000 0.33420
K5 K 0.28030 0.25000 0.78930
K6 K 0.04180 0.25000 0.78740
F1 F 0.40300 0.03770 0.72640
F2 F 0.33530 0.96250 0.53040
F3 F 0.48090 0.96340 0.60040
F4 F 0.25180 0.04620 0.65930
F5 F 0.10160 0.96210 0.72130
F6 F 0.38510 0.25000 0.60770
F7 F 0.10770 0.25000 0.63980
F8 F 0.14670 0.25000 0.15210
F9 F 0.33490 0.25000 0.11140
F10 F 0.02650 0.95830 0.59100
F11 F 0.27870 0.25000 0.96100
F12 F 0.33680 0.94390 0.38500
F13 F 0.16930 0.04830 0.52700
F14 F 0.17190 0.01780 0.38080
F15 F 0.28580 0.25000 0.44800

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Cr1 -1.49 0.00000 1.49 mx,my,mz
Cr2 -1.69 0.00000 -0.88 mx,my,mz
Cr3 2.18 0.00000 -0.17 mx,my,mz


