data_global
_chemical_name_mineral 'Litvinskite'
loop_
_publ_author_name
'Yamnova N A'
'Egorov-Tismenko Y K'
'Pekov I V'
'Ekimenkova I A'
_journal_name_full 'Crystallography Reports'
_journal_volume 46 
_journal_year 2001
_journal_page_first 190
_journal_page_last 193
_publ_section_title
;
 Crystal structure of litvinskite: A new natural member of the lovozerite group
;
_database_code_amcsd 0012370
_chemical_compound_source 'Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Na2.51 K.01 O18.45 Mn.14 Ca.01 Fe.01 Zr.96 Ti.01 Hf.01 (Si5.82 Al.18) H6.9'
_cell_length_a 10.589
_cell_length_b 10.217
_cell_length_c 7.355
_cell_angle_alpha 90
_cell_angle_beta 92.91
_cell_angle_gamma 90
_cell_volume 794.695
_exptl_crystal_density_diffrn      2.620
_symmetry_space_group_name_H-M 'C 1 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'
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   0.00300   0.00000   0.49700   0.78000   0.05573
NaA2   0.75400   0.25200  -0.00400   0.77000   0.05193
KA2   0.75400   0.25200  -0.00400   0.00500   0.05193
WatA2   0.75400   0.25200  -0.00400   0.22500   0.05193
NaC   0.74700   0.00000   0.25400   0.19000   0.05319
MnC   0.74700   0.00000   0.25400   0.14000   0.05319
CaC   0.74700   0.00000   0.25400   0.01000   0.05319
FeC   0.74700   0.00000   0.25400   0.01000   0.05319
ZrM   0.00000   0.00000   0.00000   0.96000   0.03420
TiM   0.00000   0.00000   0.00000   0.01000   0.03420
HfM   0.00000   0.00000   0.00000   0.01000   0.03420
Si1   0.49050   0.22030   0.28660   0.97000   0.03990
Al1   0.49050   0.22030   0.28660   0.03000   0.03990
Si2   0.29000   0.00000   0.26140   0.97000   0.04179
Al2   0.29000   0.00000   0.26140   0.03000   0.04179
Si3   0.51170   0.22710   0.71240   0.97000   0.03546
Al3   0.51170   0.22710   0.71240   0.03000   0.03546
Si4   0.71600   0.00000   0.72980   0.97000   0.03420
Al4   0.71600   0.00000   0.72980   0.03000   0.03420
O1   0.17900   0.00000   0.10900   1.00000   0.06459
O2   0.37200   0.13110   0.23800   1.00000   0.07346
O3  -0.00500   0.24500   0.50400   1.00000   0.06966
O4   0.04400   0.14200   0.80900   1.00000   0.07852
O-H5   0.38100   0.15100   0.76500   1.00000   0.10765
O-H6   0.23500   0.00000   0.47100   1.00000   0.08866
O7   0.81000   0.00000   0.90400   1.00000   0.06586
O8   0.62300   0.12100   0.75000   1.00000   0.07599
O9   0.96100   0.14350   0.17800   1.00000   0.06459
O-H10   0.61800   0.15700   0.22000   1.00000   0.07219
O-H11   0.78000   0.00000   0.54300   1.00000   0.06713