data_global
_amcsd_formula_title 'RUB-7'
loop_
_publ_author_name
'Rziha T'
'Gies H'
'Rius J'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 8 
_journal_year 1996
_journal_page_first 675
_journal_page_last 686
_publ_section_title
;
 RUB-7, a new synthetic manganese oxide structure type
 with a 2x4 tunnel
;
_database_code_amcsd 0006630
_chemical_formula_sum 'Rb2.08 Mn3 O6'
_cell_length_a 14.191
_cell_length_b 2.851
_cell_length_c 24.343
_cell_angle_alpha 90
_cell_angle_beta 91.29
_cell_angle_gamma 90
_cell_volume 984.633
_exptl_crystal_density_diffrn      5.917
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Rb1a   0.24000   0.78000   0.36000   0.75000   0.03040
Rb1b   0.25000   0.51000   0.31000   0.23000   0.03040
Rb2a   0.27000   0.79000   0.22000   0.38000   0.03040
Rb2b   0.26000   0.20000   0.14000   0.72000   0.03040
Mn1  -0.00700   0.50000   0.09400   1.00000   0.00760
Mn2   0.00600   0.00000   0.20200   1.00000   0.00760
Mn3  -0.00200   0.50000   0.30300   1.00000   0.00760
Mn4  -0.00200   0.00000   0.40500   1.00000   0.00760
Mn5   0.16500   0.50000   0.49600   1.00000   0.00760
Mn6   0.16200   0.00000   0.01100   1.00000   0.00760
O1   0.08200   0.00000   0.06800   1.00000   0.01267
O2   0.07700   0.50000   0.17000   1.00000   0.01267
O3   0.06000   0.00000   0.27000   1.00000   0.01267
O4   0.05800   0.50000   0.38200   1.00000   0.01267
O5   0.12100   0.00000   0.45800   1.00000   0.01267
O6   0.27600   0.50000   0.45500   1.00000   0.01267
O7   0.41700   0.00000   0.43300   1.00000   0.01267
O8   0.42600   0.50000   0.33000   1.00000   0.01267
O9   0.43900   0.00000   0.23200   1.00000   0.01267
O10   0.44200   0.50000   0.12500   1.00000   0.01267
O11   0.23700   0.50000   0.04600   1.00000   0.01267
O12   0.37800   0.00000   0.03700   1.00000   0.01267