#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/15/2020

data_5yOhtAoR
_audit_creation_date            2020-05-15
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        101
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            064423
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevB.101.064423

loop_
_citation_author_name
"Y. Liu"
"L. D. Sanjeewa"
"V. O. Garlea"
"T. M. Smith Pellizzeri"
"J. W. Kolis"
"A. S. Sefat"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     3.5
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT2 2  1  general primary 9 .
mGM3- 1  1   .    primary  4 .


_exptl_crystal_magnetic_properties_details
;
NSD
Between 4.5K and 3.5K  another incommensurate phase exists without the k=0 component present in the structure here observed below 3.5K
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
two irreps involved as primary, one of them with k=0
Arbitrary global phase of the modulation is fixed by the choice of origin along x4 for the MSSG operations transforming k into -k.
;

_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"

_cell_modulation_dimension               1

loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
1 0.000000 0.460000 0.000000


_parent_space_group.child_transform_Pp_abc  "a,b,c;0,0,0"

_space_group.magn_ssg_name  "Pn'ma(0b0)00s"
_space_group.magn_point_group_name  "m'mm"
_space_group.magn_point_group_number  8.3.26
_cell_length_a                 18.6919
_cell_length_b                 6.2684
_cell_length_c                 12.6394
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              90

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,+1
2 -x1+1/2,-x2,x3+1/2,-x4,-1
3 -x1,x2+1/2,-x3,x4+1/2,-1
4 x1+1/2,-x2+1/2,-x3+1/2,-x4+1/2,+1
5 -x1,-x2,-x3,-x4+1/2,-1
6 x1+1/2,x2,-x3+1/2,x4+1/2,+1
7 x1,-x2+1/2,x3,-x4,+1
8 -x1+1/2,x2+1/2,x3+1/2,x4,-1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb1 Rb 0.3697(13) -0.25 3.9661(11) 1
Rb2 Rb 0.2543(9) 0.75 0.6589(7) 1
Mn1 Mn 0.5543(9) 0.472(3) 0.3157(8) 1
Mn2 Mn 0.3961(19) 0.75 0.2622(12) 1
Mo1 Mo 0.4552(14) 0.25 0.1134(11) 1
Mo2 Mo 0.6036(14) 0.75 0.5755(8) 1
Mo3 Mo 0.2006(13) 0.75 0.3196(15) 1
O1 O 0.5081(12) 0.25 0.2070(8) 1
O2 O 0.3892(9) 0.035(3) 0.1420(6) 1
O3 O 0.4946(14) 0.25 -0.0138(11) 1
O4 O 0.5830(13) 0.75 0.4327(14) 1
O5 O 0.5690(8) 1.005(4) 0.6260(6) 1
O6 O 0.7019(17) 0.75 0.5817(10) 1
O7 O 0.1536(7) 0.557(3) 0.2732(6) 1
O8 O 0.2845(18) 0.75 0.2704(8) 1
O9 O 0.2046(9) 0.75 0.4610(8) 1
O10 O 0.5142(11) 0.75 0.2381(8) 1
O11 O 0.5879(11) 0.25 0.4110(8) 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 -0.49(11) 1.08(8) -3.53(9) mx,my,mz
Mn2 0 -0.16(15) 0 0,my,0

loop_
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.q1_coeff
1 1

loop_
_atom_site_moment_Fourier.atom_site_label
_atom_site_moment_Fourier.axis
_atom_site_moment_Fourier.wave_vector_seq_id
_atom_site_moment_Fourier_param.cos
_atom_site_moment_Fourier_param.sin
_atom_site_moment_Fourier_param.cos_symmform
_atom_site_moment_Fourier_param.sin_symmform
Mn1 x 1 -0.5(2) -0.6(2) mxc1 mxs1
Mn1 y 1 1.0(1) -1.5(1)  myc1 mys1
Mn1 z 1 0.02(2) 0.04(2) mzc1 mzs1
Mn2 x 1   0    2.8(2)      0 mxs1
Mn2 y 1 -4.7(2) 0       myc1 0
Mn2 z 1   0    0.0(5)      0 mzs1

