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 0014513
_chemical_compound_source 'Cancarix, Albacete province, Spain'
_chemical_formula_sum 'K.8 Na.6 (Mg4.3 Fe.7) Si12 O30'
_cell_length_a 10.135
_cell_length_b 10.135
_cell_length_c 14.320
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1273.858
_exptl_crystal_density_diffrn      2.622
_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   0.02077
NaC   0.00000   0.00000   0.25000   0.20000   0.02077
NaB   0.33333   0.66667  -0.01880   0.10000   0.01267
MgA   0.33333   0.66667   0.25000   0.86000   0.01064
Fe3+A   0.33333   0.66667   0.25000   0.14000   0.01064
MgT2   0.50000   0.50000   0.25000   0.86000   0.01051
Fe3+T2   0.50000   0.50000   0.25000   0.14000   0.01051
SiT1   0.23807   0.35288   0.39065   1.00000   0.01013
O1   0.12990   0.39430   0.00000   1.00000   0.02102
O2   0.21970   0.27770   0.13325   1.00000   0.01900
O3   0.15520   0.49670   0.17230   1.00000   0.01393
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 0.01963 0.01963 0.02279 0.00988 0.00000 0.00000
NaC 0.01963 0.01963 0.02279 0.00988 0.00000 0.00000
MgA 0.01013 0.01013 0.01178 0.00507 0.00000 0.00000
Fe3+A 0.01013 0.01013 0.01178 0.00507 0.00000 0.00000
MgT2 0.00747 0.01976 0.00836 0.00988 0.00000 0.00000
Fe3+T2 0.00747 0.01976 0.00836 0.00988 0.00000 0.00000
SiT1 0.01064 0.01165 0.00912 0.00621 0.00063 0.00089
O1 0.02850 0.02293 0.01140 0.01266 0.00000 0.00000
O2 0.01976 0.02242 0.01976 0.01406 0.00051 0.00063
O3 0.01317 0.01431 0.01393 0.00671 -0.00101 -0.00228