data_global
_chemical_name_mineral 'Chayesite'
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 0014512
_chemical_compound_source 'Cancarix, Albacete province, Spain'
_chemical_formula_sum 'K.85 Na.29 (Mg4.2 Fe.8) Si12 O30'
_cell_length_a 10.128
_cell_length_b 10.128
_cell_length_c 14.312
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1271.389
_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   0.85000   0.02229
NaC   0.00000   0.00000   0.25000   0.15000   0.02229
NaB   0.33333   0.66667   0.00000   0.07000   0.01013
MgA   0.33333   0.66667   0.25000   0.84000   0.01127
Fe3+A   0.33333   0.66667   0.25000   0.16000   0.01127
MgT2   0.50000   0.50000   0.25000   0.84000   0.01127
Fe3+T2   0.50000   0.50000   0.25000   0.16000   0.01127
SiT1   0.23803   0.35318   0.39069   1.00000   0.00988
O1   0.13040   0.39470   0.00000   1.00000   0.02064
O2   0.21980   0.27810   0.13350   1.00000   0.01887
O3   0.15530   0.49710   0.17254   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 0.02026 0.02026 0.02621 0.01013 0.00000 0.00000
NaC 0.02026 0.02026 0.02621 0.01013 0.00000 0.00000
MgA 0.00899 0.00899 0.01570 0.00456 0.00000 0.00000
Fe3+A 0.00899 0.00899 0.01570 0.00456 0.00000 0.00000
MgT2 0.00671 0.01824 0.01267 0.00912 0.00000 0.00000
Fe3+T2 0.00671 0.01824 0.01267 0.00912 0.00000 0.00000
SiT1 0.00836 0.00950 0.01254 0.00507 0.00076 0.00101
O1 0.02470 0.01963 0.01761 0.01102 0.00000 0.00000
O2 0.01722 0.02128 0.02305 0.01330 0.00000 -0.00013
O3 0.01140 0.01203 0.01684 0.00570 -0.00152 -0.00304