data_global
_chemical_name_mineral 'Lovozerite'
loop_
_publ_author_name
'Yamnova N A'
'Egorov-Tismenko Y K'
'Pekov I V'
_journal_name_full 'Crystallography Reports'
_journal_volume 46 
_journal_year 2001
_journal_page_first 937
_journal_page_last 941
_publ_section_title
;
 Refined crystal structure of lovozerite Na2CaZr[Si6O12(OH,O)6]*H2O
;
_database_code_amcsd 0012374
_chemical_compound_source 'Kola Peninsula, Russia'
_chemical_formula_sum 'Na2.39 K.09 Ca.35 Mn.08 (Zr.8 Fe.14 Ti.03 Hf.03) Si6 O18.9 H6.6'
_cell_length_a 10.18
_cell_length_b 10.18
_cell_length_c 13.13
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1178.395
_exptl_crystal_density_diffrn      2.714
_symmetry_space_group_name_H-M 'R 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+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
NaA   0.34100   0.17200   0.16600   0.73000   0.05446
KA   0.34100   0.17200   0.16600   0.03000   0.05446
CaC   0.00000   0.00000   0.74200   0.35000   0.07852
NaC   0.00000   0.00000   0.74200   0.20000   0.07852
MnC   0.00000   0.00000   0.74200   0.08000   0.07852
ZrM   0.00000   0.00000   0.00000   0.80000   0.03673
FeM   0.00000   0.00000   0.00000   0.14000   0.03673
TiM   0.00000   0.00000   0.00000   0.03000   0.03673
HfM   0.00000   0.00000   0.00000   0.03000   0.03673
Si1   0.48290   0.51720   0.22080   1.00000   0.04179
Si2   0.18350   0.36960   0.09520   1.00000   0.02786
O1   0.44700   0.22400  -0.00300   1.00000   0.09246
O2   0.55500   0.42400   0.24800   0.40000   0.08232
O-H2   0.55500   0.42400   0.24800   0.60000   0.08232
O-H3   0.20800   0.10400   0.32500   1.00000   0.03926
O4   0.33600   0.43300   0.15900   1.00000   0.11145
O5   0.10100   0.18400   0.09100   1.00000   0.03926
O6   0.60100   0.66700   0.16100   1.00000   0.06206
WatB   0.00200   0.46200   0.00600   0.30000   0.05573