data_global
_chemical_name_mineral 'Gotzenite'
loop_
_publ_author_name
'Bellezza M'
'Merlino S'
'Perchiazzi N'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 16 
_journal_year 2004
_journal_page_first 957
_journal_page_last 969
_publ_section_title
;
 Chemical and structural study of the Zr,Ti-disilicates in the venanzite
 from Pian di Celle, Umbria, Italy
;
_database_code_amcsd 0007084
_chemical_compound_source 'Pian di Celle, Umbria, Italy'
_chemical_formula_sum 'Ca5.66 Zr.28 Na1.06 Ti.98 Si4 O14 F4'
_cell_length_a 9.636
_cell_length_b 7.341
_cell_length_c 5.737
_cell_angle_alpha 89.94
_cell_angle_beta 100.74
_cell_angle_gamma 101.06
_cell_volume 391.055
_exptl_crystal_density_diffrn      3.125
_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
Ca1   0.63220   0.90960   0.22180   0.86000   0.01300
Zr1   0.63220   0.90960   0.22180   0.14000   0.01300
Ca2   0.63450   0.40780   0.21940   1.00000   0.01100
Ca3   0.99350   0.24210   0.49600   0.68000   0.01800
Na3   0.99350   0.24210   0.49600   0.32000   0.01800
Ca4   0.00000   0.50000   0.00000   0.58000   0.02500
Na4   0.00000   0.50000   0.00000   0.42000   0.02500
Ti5   0.00000   0.00000   0.00000   0.98000   0.01800
Si1   0.71790   0.65290   0.74780   1.00000   0.01200
Si2   0.72290   0.21320   0.75100   1.00000   0.01600
O1   0.75920   0.44240   0.78990   1.00000   0.02400
O2   0.61470   0.66890   0.93390   1.00000   0.01700
O3   0.61810   0.14070   0.93140   1.00000   0.01600
O4   0.64670   0.66480   0.47640   1.00000   0.02100
O5   0.67060   0.16640   0.47550   1.00000   0.02700
O6   0.87910   0.78060   0.81840   1.00000   0.02200
O7   0.88480   0.17220   0.83070   1.00000   0.02300
F1   0.88880   0.47570   0.30590   1.00000   0.01900
F2   0.88560   0.96880   0.26350   1.00000   0.02800