data_global
_chemical_name_mineral 'Magnesio-ferri-katophorite'
loop_
_publ_author_name
'Pushcharovsky D Y'
'Lebedeva Y S'
'Pekov I V'
'Ferraris G'
'Novakova A A'
'Ivaldi G'
_journal_name_full 'Crystallography Reports'
_journal_volume 48 
_journal_year 2003
_journal_page_first 16
_journal_page_last 23
_publ_section_title
;
 Crystal structure of magnesioferrikatophorite
;
_database_code_amcsd 0012383
_chemical_compound_source 'Turiy Cape, Kola Peninsula, Russia'
_chemical_formula_sum 'Na2.05 K.13 Mg2.7 Fe2.1 Ti.17 Mn.02 Ca.82 Si7.16 Al.84 O23.71 F.29 H1.47'
_cell_length_a 9.875
_cell_length_b 18.010
_cell_length_c 5.309
_cell_angle_alpha 90
_cell_angle_beta 104.39
_cell_angle_gamma 90
_cell_volume 914.576
_exptl_crystal_density_diffrn      3.222
_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
NaAm   0.50000   0.00000   0.00000   0.56000   0.10040
KAm   0.50000   0.00000   0.00000   0.13000   0.10040
NaA2   0.44870   0.00000   0.88028   0.15500   0.03390
MgM1   0.00000   0.08874   0.50000   0.70500   0.00870
FeM1   0.00000   0.08874   0.50000   0.21000   0.00870
TiM1   0.00000   0.08874   0.50000   0.08500   0.00870
FeM2   0.00000   0.18063   0.00000   0.65500   0.00960
MgM2   0.00000   0.18063   0.00000   0.34500   0.00960
MgM3   0.00000   0.00000   0.00000   0.60000   0.00700
FeM3   0.00000   0.00000   0.00000   0.37000   0.00700
MnM3   0.00000   0.00000   0.00000   0.02000   0.00700
NaM4   0.00000   0.27810   0.50000   0.59000   0.01500
CaM4   0.00000   0.27810   0.50000   0.41000   0.01500
Si1   0.28009   0.08562   0.29680   0.79000   0.00750
Al1   0.28009   0.08562   0.29680   0.21000   0.00750
Si2   0.28894   0.17158   0.80490   1.00000   0.00680
O1   0.10980   0.08820   0.21440   1.00000   0.00950
O2   0.11940   0.17110   0.73130   1.00000   0.01060
O-H3   0.10840   0.00000   0.71080   0.73500   0.01010
F3   0.10840   0.00000   0.71080   0.14500   0.01010
O3   0.10840   0.00000   0.71080   0.12000   0.01010
O4   0.36400   0.24950   0.79480   1.00000   0.01240
O5   0.34940   0.13230   0.09270   1.00000   0.01530
O6   0.34270   0.11760   0.59320   1.00000   0.01370
O7   0.33840   0.00000   0.28670   1.00000   0.01490