data_9002345
_chemical_name '[K,Na].9[Mg,Fe]2[Mg,Fe,Al,Si]6O12'
loop_
_publ_author_name
'Gasparik T'
'Tripathi A'
'Parise J B'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 613
_journal_page_last 618
_publ_section_title
;
 Structure of a new Al-rich phase, [K,Na].9[Mg,Fe]2[Mg,Fe,Al,Si]6O12,
 synthesized at 24 GPa
;
_chemical_formula_sum 'Mg1.295 Fe.3 Al1.305 Si1.05 Ca.02 K.28 Na.16 O6'
_cell_length_a 8.830
_cell_length_b 8.830
_cell_length_c 2.779
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 187.647
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+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_Uiso_or_equiv
Mg1  -0.34470   0.01000   0.75000   0.15500 ?
Fe1  -0.34470   0.01000   0.75000   0.05000 ?
Al1  -0.34470   0.01000   0.75000   0.43500 ?
Si1  -0.34470   0.01000   0.75000   0.35000 ?
Ca2   0.33333   0.66667   0.25000   0.02000 ?
Mg2   0.33333   0.66667   0.25000   0.83000 ?
Fe2   0.33333   0.66667   0.25000   0.15000 ?
K3   0.00000   0.00000   0.86630   0.14000   0.01000
Na3   0.00000   0.00000   0.86630   0.08000   0.01000
O1   0.12810   0.52980   0.75000   1.00000 ?
O2  -0.11160   0.20520   0.75000   1.00000 ?