data_global
_chemical_name_mineral 'Cordylite-(La)'
loop_
_publ_author_name
'Mills S J'
'Kartashov P M'
'Kampf A R'
'Konev A A'
'Konev A A'
'Raudsepp M'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 50 
_journal_year 2012
_journal_page_first 1281
_journal_page_last 1290
_publ_section_title
;
 Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE
 deposit, Irkutsk, Russia
 Note: crystal 2
;
_database_code_amcsd 0019704
_chemical_compound_source 'Biraya Fe-REE deposit, Irkutsk, Russia'
_chemical_formula_sum 'Ba La.7 Ce.66 Sr.46 Nd.12 Pr.04 (Na.61 Ca.39) F.75 O12.19 C4 H.19'
_cell_length_a 5.1196
_cell_length_b 5.1196
_cell_length_c 23.1784
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 526.122
_exptl_crystal_density_diffrn      4.276
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-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
Ba   0.00000   0.00000   0.00000   1.00000   0.01370
La   0.33333   0.66667   0.35481   0.35000   0.00939
Ce   0.33333   0.66667   0.35481   0.33000   0.00939
Sr   0.33333   0.66667   0.35481   0.23000   0.00939
Nd   0.33333   0.66667   0.35481   0.06000   0.00939
Pr   0.33333   0.66667   0.35481   0.02000   0.00939
Na   0.33333   0.66667   0.75000   0.61000   0.02220
Ca   0.33333   0.66667   0.75000   0.39000   0.02220
F   0.33333   0.66667   0.25000   0.75000   0.04200
O-H   0.33333   0.66667   0.25000   0.19000   0.04200
C1   0.00000   0.00000   0.67860   1.00000   0.01260
C2   0.66667   0.33333   0.43380   1.00000   0.01080
O1   0.14400   0.28790   0.82290   1.00000   0.01650
O2   0.52190   0.04380   0.43486   1.00000   0.01920
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ba 0.01290 0.01290 0.01510 0.00647 0.00000 0.00000
La 0.00890 0.00890 0.01040 0.00445 0.00000 0.00000
Ce 0.00890 0.00890 0.01040 0.00445 0.00000 0.00000
Sr 0.00890 0.00890 0.01040 0.00445 0.00000 0.00000
Nd 0.00890 0.00890 0.01040 0.00445 0.00000 0.00000
Pr 0.00890 0.00890 0.01040 0.00445 0.00000 0.00000
Na 0.02600 0.02600 0.01440 0.01300 0.00000 0.00000
Ca 0.02600 0.02600 0.01440 0.01300 0.00000 0.00000
F 0.05800 0.05800 0.01100 0.02900 0.00000 0.00000
O-H 0.05800 0.05800 0.01100 0.02900 0.00000 0.00000
C1 0.01300 0.01300 0.01200 0.00630 0.00000 0.00000
C2 0.01200 0.01200 0.00800 0.00610 0.00000 0.00000
O1 0.01560 0.01140 0.02110 0.00570 -0.00050 -0.00110
O2 0.02440 0.00990 0.01840 0.00500 0.00020 0.00040