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 0014514
_chemical_compound_source 'Cancarix, Albacete province, Spain'
_chemical_formula_sum 'K.8 Na.64 (Mg4.25 Fe.75) Si12 O30'
_cell_length_a 10.126
_cell_length_b 10.126
_cell_length_c 14.326
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1272.130
_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   0.80000   0.02039
NaC   0.00000   0.00000   0.25000   0.20000   0.02039
NaB   0.33333   0.66667  -0.01900   0.11000   0.01900
MgA   0.33333   0.66667   0.25000   0.85000   0.00963
Fe3+A   0.33333   0.66667   0.25000   0.15000   0.00963
MgT2   0.50000   0.50000   0.25000   0.85000   0.01077
Fe3+T2   0.50000   0.50000   0.25000   0.15000   0.01077
SiT1   0.23814   0.35284   0.39067   1.00000   0.00975
O1   0.12990   0.39430   0.00000   1.00000   0.02039
O2   0.21970   0.27780   0.13331   1.00000   0.01849
O3   0.15510   0.49670   0.17248   1.00000   0.01355
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 0.01950 0.01950 0.02229 0.00975 0.00000 0.00000
NaC 0.01950 0.01950 0.02229 0.00975 0.00000 0.00000
MgA 0.00899 0.00899 0.01076 0.00456 0.00000 0.00000
Fe3+A 0.00899 0.00899 0.01076 0.00456 0.00000 0.00000
MgT2 0.00747 0.01988 0.00912 0.00988 0.00000 0.00000
Fe3+T2 0.00747 0.01988 0.00912 0.00988 0.00000 0.00000
SiT1 0.01000 0.01102 0.00912 0.00582 0.00063 0.00088
O1 0.02710 0.02191 0.01203 0.01216 0.00000 0.00000
O2 0.01824 0.02204 0.02051 0.01393 -0.00013 0.00025
O3 0.01317 0.01355 0.01381 0.00671 -0.00127 -0.00291