data_global
_chemical_name_mineral 'Hiortdahlite'
loop_
_publ_author_name
'Bellezza M'
'Merlino S'
'Perchiazzi N'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 50 
_journal_year 2012
_journal_page_first 531
_journal_page_last 548
_publ_section_title
;
 Distinct domains in "guarinite" from Monte Somma, Italy:
 Crystal structures and crystal chemistry
 Note: "Guarinite" Domain I
;
_database_code_amcsd 0019216
_chemical_compound_source 'Monte Somma syenite, Italy'
_chemical_formula_sum 'Ca4.64 Na1.62 Zr1.29 Mn.45 Si4 O15 F3'
_cell_length_a 10.973
_cell_length_b 10.306
_cell_length_c 7.367
_cell_angle_alpha 90.03
_cell_angle_beta 109.63
_cell_angle_gamma 90.11
_cell_volume 784.696
_exptl_crystal_density_diffrn      3.280
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
Ca(1)   0.42470   0.37080   0.84300   1.00000   0.01800
Ca(2)   0.30900   0.09640   0.52910   0.71000   0.01900
Na(2)   0.30900   0.09640   0.52910   0.29000   0.01900
Ca(3)   0.93330   0.12640   0.84720   0.71000   0.02100
Zr(3)   0.93330   0.12640   0.84720   0.29000   0.02100
Ca(4)   0.80390   0.39720   0.52700   1.00000   0.01500
Zr   0.29530   0.09730   0.02620   1.00000   0.02000
Ca(5)   0.80910   0.40490   0.02580   0.55000   0.01500
Mn(5)   0.80910   0.40490   0.02580   0.45000   0.01500
NaCa(1)   0.42070   0.37910   0.33780   0.74000   0.02400
CaNa(1)   0.42070   0.37910   0.33780   0.26000   0.02400
NaCa(2)   0.92270   0.12390   0.32200   0.59000   0.01500
CaNa(2)   0.92270   0.12390   0.32200   0.41000   0.01500
Si(1)   0.62310   0.16790   0.22210   1.00000   0.01100
Si(2)   0.62030   0.17110   0.65820   1.00000   0.01100
Si(3)   0.12930   0.31400   0.22840   1.00000   0.01200
Si(4)   0.12210   0.31850   0.65900   1.00000   0.01000
O(1)   0.62100   0.14600   0.44040   1.00000   0.03000
O(2)   0.73890   0.26760   0.23800   1.00000   0.02500
O(3)   0.74710   0.25780   0.76770   1.00000   0.02500
O(4)   0.66290   0.02290   0.17110   1.00000   0.02100
O(5)   0.63710   0.02800   0.73710   1.00000   0.02500
O(6)   0.47920   0.21050   0.09130   1.00000   0.01600
O(7)   0.48460   0.23610   0.64090   1.00000   0.02100
O(8)   0.13970   0.28070   0.45240   1.00000   0.03700
O(9)   0.24700   0.22610   0.21370   1.00000   0.01600
O(10)   0.24110   0.22970   0.79980   1.00000   0.02300
O(11)   0.15810   0.46570   0.19710   1.00000   0.02500
O(12)   0.14750   0.46770   0.68760   1.00000   0.02900
O(13)   0.98850   0.26360   0.09370   1.00000   0.02200
O(14)   0.98160   0.26210   0.64200   1.00000   0.02900
O(15)   0.11470   0.01820   0.94650   1.00000   0.02300
F(16)   0.60800   0.49370   0.93610   1.00000   0.01700
F(17)   0.39110   0.51120   0.58180   1.00000   0.02500
F(18)   0.88800   0.00230   0.58280   1.00000   0.02800