data_9005455
_chemical_name 'Na.5Li.5MnFe2(PO4)3'
loop_
_publ_author_name
'Hatert F'
'Keller P'
'Lissner F'
'Antenucci D'
'Fransolet A-M'
_journal_name_full "European Journal of Mineralogy"
_journal_volume 12
_journal_year 2000
_journal_page_first 847
_journal_page_last 857
_publ_section_title
;
 First experimental evidence of alluaudite-like phosphates with high
 Li-content: the (Na1-xLix)MnFe2(PO4)3 series (x= 0 to 1)
 Sample: Na.5Li.5MnFe2(PO4)3
;
_chemical_formula_sum 'Li.5 Na.5 Mn Fe2 P3 O12'
_cell_length_a 11.988
_cell_length_b 12.500
_cell_length_c 6.392
_cell_angle_alpha 90
_cell_angle_beta 114.67
_cell_angle_gamma 90
_cell_volume 870.416
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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_Uiso_or_equiv
LiA2*   0.00000  -0.01060   0.25000   0.50000   0.05826
NaA2*   0.00000  -0.01060   0.25000   0.23000   0.05826
NaA1   0.50000   0.00000   0.00000   0.27000   0.08612
MnM1   0.00000   0.26410   0.25000   1.00000   0.01077
FeM2   0.28030   0.65277   0.36868   1.00000   0.00608
P1   0.00000  -0.28733   0.25000   1.00000   0.00583
P2   0.24184  -0.10815   0.13300   1.00000   0.00595
O1   0.45250   0.71640   0.53240   1.00000   0.01229
O2   0.09870   0.63750   0.23860   1.00000   0.01494
O3   0.32840   0.66430   0.10220   1.00000   0.01406
O4   0.12210   0.39940   0.30960   1.00000   0.01900
O5   0.22440   0.82210   0.31800   1.00000   0.01241
O6   0.31480   0.50230   0.37720   1.00000   0.01608