data_global
_chemical_name_mineral 'Tisinalite'
loop_
_publ_author_name
'Yamnova N A'
'Egorov-Tismenko Y K'
'Pekov I V'
'Shchegol'kova L V'
_journal_name_full 'Crystallography Reports'
_journal_volume 48 
_journal_year 2003
_journal_page_first 551
_journal_page_last 556
_publ_section_title
;
 Crystal structure of tisinalite Na2(Mn,Ca)1-x(Ti,Zr,Nb,Fe3+)[Si6O8(O,OH)10]
;
_database_code_amcsd 0012385
_chemical_compound_source 'Khibiny massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Na6.24 Mn1.26 Ca.38 Ti1.4 Fe.36 Zr.42 Nb.4 Si18 O54 H18'
_cell_length_a 10.036
_cell_length_b 10.036
_cell_length_c 12.876
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1123.137
_exptl_crystal_density_diffrn      2.629
_symmetry_space_group_name_H-M 'P -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x+y,-z'
  '-x+y,-x,z'
  '-x,-y,-z'
  '-y,x-y,z'
  'x-y,x,-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
NaA1   0.50000   0.00000   0.50000   0.68000   0.02050
NaA2   0.33520   0.16810   0.16470   0.70000   0.04730
MnC1   0.33333   0.66667   0.91740   0.23000   0.07300
CaC1   0.33333   0.66667   0.91740   0.08000   0.07300
MnC2   0.33333   0.66667   0.42280   0.17000   0.02900
CaC2   0.33333   0.66667   0.42280   0.09000   0.02900
MnC3   0.00000   0.00000   0.75700   0.23000   0.04700
CaC3   0.00000   0.00000   0.75700   0.02000   0.04700
TiM1   0.00000   0.00000   0.00000   0.64000   0.03500
Fe3+M1   0.00000   0.00000   0.00000   0.36000   0.03500
TiM2   0.33333   0.66667   0.66670   0.38000   0.01890
ZrM2   0.33333   0.66667   0.66670   0.21000   0.01890
NbM2   0.33333   0.66667   0.66670   0.20000   0.01890
Si1   0.63850   0.81932   0.10320   1.00000   0.03140
Si2   0.84870   0.69750   0.43490   1.00000   0.02960
Si3   0.97010   0.48490   0.76790   1.00000   0.02810
O1   0.91180   0.81940   0.90920   1.00000   0.06600
O2   0.51380   0.76120   0.57580   1.00000   0.05400
O3   0.56810   0.15170   0.24400   1.00000   0.06500
O-H4   0.89670   0.78530   0.32520   1.00000   0.07700
O-H5   0.88580   0.44080   0.65730   1.00000   0.07300
O-H6   0.55090   0.77570  -0.00690   1.00000   0.06400
O7   0.73910   0.73980   0.50040   1.00000   0.07600
O8  -0.07460   0.33560   0.83440   1.00000   0.08200
O9   0.58740   0.66410   0.16720   1.00000   0.08200