data_global
_chemical_name_mineral 'Labuntsovite-Mn'
loop_
_publ_author_name
'Rastsvetaeva R K'
'Chukanov N V'
'Pekov I V'
'Shlyukova Z V'
'Khomyakov A P'
_journal_name_full 'Crystallography Reports'
_journal_volume 43 
_journal_year 1998
_journal_page_first 820
_journal_page_last 827
_publ_section_title
;
 Structures of two potassium-rich labuntsovites in relation to the crystal chemistry
 of minerals of the labuntsovite-nenadkevichite family
 Sample: I
;
_database_code_amcsd 0012358
_chemical_formula_sum 'Na2 K3.4 (Ti3.2 Nb.8) Mn.2 Si8 O32.4 H12.8'
_cell_length_a 14.42
_cell_length_b 13.91
_cell_length_c 7.8
_cell_angle_alpha 90
_cell_angle_beta 116.9
_cell_angle_gamma 90
_cell_volume 1395.254
_exptl_crystal_density_diffrn      2.793
_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
NaAI   0.40840   0.26400   0.00510   0.50000   0.05826
KAII   0.41750   0.00000   0.70100   0.90000   0.07092
TiMI1   0.25000   0.25000   0.50000   0.80000   0.02622
NbMI1   0.25000   0.25000   0.50000   0.20000   0.02622
TiMI2   0.00000   0.22570   0.50000   0.80000   0.02419
NbMI2   0.00000   0.22570   0.50000   0.20000   0.02419
MnMII   0.00000   0.00000   0.50000   0.20000   0.02660
Si1   0.32130   0.11060   0.25030   1.00000   0.01507
Si2   0.20740   0.10960   0.80110   1.00000   0.01469
O1   0.08340   0.12200   0.67990   1.00000   0.02153
O2   0.27350   0.18050   0.73650   1.00000   0.01900
O3   0.26480   0.12790   0.38370   1.00000   0.02026
O4   0.36430   0.00000   0.27750   1.00000   0.02153
O5   0.24040   0.00000   0.77570   1.00000   0.02153
O6   0.42140   0.17820   0.30520   1.00000   0.02280
O7   0.23710   0.12620   0.02620   1.00000   0.02406
O-H   0.09990   0.22520   0.39580   1.00000   0.02153
KAIII   0.08620   0.00000   0.33960   0.80000   0.04179
WatAIII   0.08620   0.00000   0.33960   0.20000   0.04179
Ow1   0.50000   0.14450   0.00000   1.00000   0.12032
Ow2   0.00000   0.12390   0.00000   1.00000   0.12159
H1   0.48100   0.11800   0.89000   1.00000   0.01267
H2   0.04900   0.13300   0.10000   1.00000   0.06333