data_global
_chemical_name_mineral 'Balliranoite'
loop_
_publ_author_name
'Chukanov N V'
'Zubkova N V'
'Pekov I V'
'Olysych L V'
'Bonaccorsi E'
'Pushcharovsky D Y'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 22 
_journal_year 2010
_journal_page_first 113
_journal_page_last 119
_publ_section_title
;
 Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral
 from Monte Somma - Vesuvio volcanic complex, Italy
;
_database_code_amcsd 0007335
_chemical_compound_source 'Monte Somma, Italy'
_chemical_formula_sum 'Na2.388 Ca1.246 K.366 Si3 Al3 O13.95 Cl S.15 C.45'
_cell_length_a 12.695
_cell_length_b 12.695
_cell_length_c 5.325
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 743.217
_exptl_crystal_density_diffrn      2.472
_symmetry_space_group_name_H-M 'P 63'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,x,1/2+z'
  '-y,x-y,z'
  '-x,-y,1/2+z'
  '-x+y,-x,z'
  'y,-x+y,1/2+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
NaM   0.11810   0.24240   0.27860   0.58100   0.05600
CaM   0.11810   0.24240   0.27860   0.06000   0.05600
KM   0.11810   0.24240   0.27860   0.08900   0.05600
NaM*   0.15370   0.31360   0.27440   0.21500   0.07300
CaM*   0.15370   0.31360   0.27440   0.02200   0.07300
KM*   0.15370   0.31360   0.27440   0.03300   0.07300
Ca   0.66667   0.33333   0.21614   1.00000   0.02300
Si   0.32774   0.40839   0.75000   1.00000   0.00996
Al   0.06985   0.40885   0.75030   1.00000   0.01012
O(1)   0.21314   0.42747   0.71310   1.00000   0.02500
O(2)   0.09954   0.55634   0.74230   1.00000   0.01930
O(3)   0.00565   0.32843   0.02670   1.00000   0.02320
O(4)   0.31568   0.33819   0.01070   1.00000   0.02170
Cl   0.33333   0.66667   0.21760   0.58000   0.08200
Cl   0.31100   0.63260   0.22200   0.14000   0.06200
S   0.00000   0.00000   0.24700   0.15000   0.04160
O(S1)   0.00000   0.00000   0.95200   0.15000   0.04600
O(S2)   0.06400   0.11900   0.38700   0.15000   0.12100
C(1)   0.00000   0.00000   0.14960   0.30000   0.04800
O(C1)   0.11520   0.06060   0.14960   0.30000   0.05040
C(2)   0.00000   0.00000   0.33300   0.15000   0.01100
O(C2)   0.11520   0.05900   0.33300   0.15000   0.10600