data_2310060
loop_
_publ_author_name
'S\/lawi\'nski, W.'
'Przenios\/lo, R.'
'Sosnowska, I.'
'Pet\<r\'i\<cek, V.'
_publ_section_title
;
 Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~
 with low Cu-doping
;
_journal_coeditor_code           pz5097
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              240
_journal_page_last               249
_journal_paper_doi               10.1107/S0108768112008038
_journal_volume                  68
_journal_year                    2012
_chemical_formula_sum            'Ca Cu0.246 Mn6.754 O12'
_chemical_formula_weight         618.8
_space_group_IT_number           146
_space_group_name_Hall           'R 3'
_space_group_name_H-M_alt        'R 3 :H'
_space_group_ssg_name            R31(00\g)ts
_symmetry_cell_setting           trigonal
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.403(2)
_cell_length_b                   10.403(2)
_cell_length_c                   6.3340(14)
_cell_measurement_temperature    60
_cell_modulation_dimension       1
_cell_volume                     593.6(2)
_diffrn_ambient_temperature      60
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     2.41835
_exptl_absorpt_coefficient_mu    0.124
_exptl_crystal_density_diffrn    10.3809
_exptl_crystal_F_000             876
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 x+1/3,y+2/3,z+2/3
5 -y+1/3,x-y+2/3,z+2/3
6 -x+y+1/3,-x+2/3,z+2/3
7 x+2/3,y+1/3,z+1/3
8 -y+2/3,x-y+1/3,z+1/3
9 -x+y+2/3,-x+1/3,z+1/3
loop_
_space_group_symop_ssg_id
_space_group_symop_ssg_operation_algebraic
1 x1,x2,x3,x4
2 -x2,x1-x2,x3,x4+1/3
3 -x1+x2,-x1,x3,x4+2/3
4 x1+2/3,x2+1/3,x3+1/3,x4
5 -x2+2/3,x1-x2+1/3,x3+1/3,x4+1/3
6 -x1+x2+2/3,-x1+1/3,x3+1/3,x4+2/3
7 x1+1/3,x2+2/3,x3+2/3,x4
8 -x2+1/3,x1-x2+2/3,x3+2/3,x4+1/3
9 -x1+x2+1/3,-x1+2/3,x3+2/3,x4+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
Ca Ca 0 0 0 Uiso 0.051(4) 3 1 d
Mn1 Mn 0.5 0 0 Uiso 0.049(2) 9 0.918 d
Cu Cu 0.5 0 0 Uiso 0.049(2) 9 0.082 d
Mn2 Mn 0.5 0.5 0.5 Uiso 0.049(2) 9 1 d
Mn3 Mn 0 0 0.5 Uiso 0.049(2) 3 1 d
O1 O 0.223239 0.275435 0.080719 Uiso 0.0543(11) 9 1 d
O1' O -0.223239 -0.275435 -0.080719 Uiso 0.0543(11) 9 1 d
O2 O 0.3433 0.525721 0.340079 Uiso 0.0543(11) 9 1 d
O2' O -0.3433 -0.525721 -0.340079 Uiso 0.0543(11) 9 1 d
loop_
_atom_type_symbol
_atom_type_scat_length_neutron
_atom_type_scat_source
Ca 4.700 International_Tables_Vol_C
Cu 7.718 International_Tables_Vol_C
Mn -3.730 International_Tables_Vol_C
O 5.803 International_Tables_Vol_C
