data_global
_chemical_name_mineral 'Roedderite'
loop_
_publ_author_name
'Alietti E'
'Brigatti M F'
'Capedri S'
'Poppi L'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 58 
_journal_year 1994
_journal_page_first 655
_journal_page_last 662
_publ_section_title
;
 The roedderite-chayesite series from Spanish lamproites:
 crystal chemical characterization
;
_database_code_amcsd 0014510
_chemical_compound_source 'Cancarix, Albacete province, Spain'
_chemical_formula_sum '(K.89 Na.55) (Mg4.35 Fe.65) Si12 O30'
_cell_length_a 10.124
_cell_length_b 10.124
_cell_length_c 14.305
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1269.763
_exptl_crystal_density_diffrn      2.632
_symmetry_space_group_name_H-M 'P 6/m c 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,-z'
  'x-y,x,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,-z'
  'y,-x+y,z'
  '-x+y,y,1/2+z'
  'x-y,-y,1/2-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
KC   0.00000   0.00000   0.25000   0.89000   0.02660
NaC   0.00000   0.00000   0.25000   0.11000   0.02660
NaB   0.33333   0.66667  -0.02020   0.11000   0.02153
MgA   0.33333   0.66667   0.25000   0.87000   0.01305
Fe3+A   0.33333   0.66667   0.25000   0.13000   0.01305
MgT2   0.50000   0.50000   0.25000   0.87000   0.01393
Fe3+T2   0.50000   0.50000   0.25000   0.13000   0.01393
SiT1   0.23814   0.35274   0.39066   1.00000   0.01254
O1   0.12990   0.39450   0.00000   1.00000   0.02419
O2   0.21930   0.27760   0.13327   1.00000   0.02191
O3   0.15500   0.49660   0.17245   1.00000   0.01697
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
KC 0.02508 0.02508 0.02964 0.01254 0.00000 0.00000
NaC 0.02508 0.02508 0.02964 0.01254 0.00000 0.00000
MgA 0.01203 0.01203 0.01495 0.00608 0.00000 0.00000
Fe3+A 0.01203 0.01203 0.01495 0.00608 0.00000 0.00000
MgT2 0.00988 0.02179 0.01418 0.01089 0.00000 0.00000
Fe3+T2 0.00988 0.02179 0.01418 0.01089 0.00000 0.00000
SiT1 0.01191 0.01292 0.01381 0.00671 0.00051 0.00076
O1 0.02976 0.02444 0.01735 0.01292 0.00000 0.00000
O2 0.02115 0.02482 0.02469 0.01532 -0.00051 0.00025
O3 0.01558 0.01697 0.01836 0.00810 -0.00101 -0.00241