data_global
_chemical_name_mineral 'Umbrianite'
loop_
_publ_author_name
'Sharygin V V'
'Pekov I V'
'Zubkova N V'
'Khomyakov A P'
'Stoppa F'
'Pushcharovsky D Y'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 25 
_journal_year 2013
_journal_page_first 655
_journal_page_last 669
_publ_section_title
;
 Umbrianite, K7Na2Ca2[Al3Si10O29]F2Cl2, a new mineral species from melilitolite
 of the Pian di Celle volcano, Umbria, Italy
;
_database_code_amcsd 0020030
_chemical_compound_source 'Pian di Celle volcano, Umbria, Italy'
_chemical_formula_sum 'K6.5 Na1.6 Ca2.5 Si9.6 Al3.1 Fe.3 Mg.1 O29 F2.1 Cl1.9'
_cell_length_a 7.0618
_cell_length_b 38.420
_cell_length_c 6.5734
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1783.458
_exptl_crystal_density_diffrn      2.486
_symmetry_space_group_name_H-M 'P m m n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-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
K(1)   0.25000   0.33849   0.11120   1.00000   0.06170
K(2)   0.25000   0.25000  -0.27750   0.80000   0.03510
Na(2)   0.25000   0.25000  -0.27750   0.08000   0.03510
K(3)   0.25000   0.41285  -0.28240   0.90000   0.03530
Na(3)   0.25000   0.41285  -0.28240   0.06000   0.03530
K(4)   0.25000   0.66020   0.51980   0.45000   0.03500
K(4*)   0.15700   0.66030   0.52300   0.25000   0.04900
Na   0.00000   0.50000   0.50000   0.70000   0.02320
Ca   0.00000   0.50000   0.50000   0.30000   0.02320
Si(1)   0.25000   0.75000   0.39610   0.50000   0.01440
Al(1)   0.25000   0.75000   0.39610   0.50000   0.01440
Si(2)   0.25000   0.70109   0.02310   1.00000   0.02340
Si(3)   0.25000   0.56856  -0.57950   1.00000   0.01550
Si(4)  -0.03300   0.57166  -0.21930   1.00000   0.01140
Si(5)  -0.01570   0.75000   0.78050   0.55000   0.02830
Al(5)  -0.01570   0.75000   0.78050   0.30000   0.02830
Fe(5)  -0.01570   0.75000   0.78050   0.15000   0.02830
Al   0.25000   0.61619   0.03320   1.00000   0.01650
Ca   0.25000   0.50431  -0.99770   0.95000   0.01110
Mg   0.25000   0.50431  -0.99770   0.05000   0.01110
O(1)   0.06310   0.71460   0.90750   1.00000   0.07800
O(2)   0.05120   0.60230  -0.08870   1.00000   0.06600
O(3)   0.25000   0.53170  -0.68200   1.00000   0.02800
O(4)   0.25000   0.60210  -0.72390   1.00000   0.04600
O(5)  -0.01690   0.53449  -0.12260   1.00000   0.04900
O(6)   0.25000   0.65950   0.03320   1.00000   0.07000
O(7)   0.05820   0.75000   0.53860   1.00000   0.05100
O(8)   0.75000   0.75000   0.79700   1.00000   0.11600
O(9)   0.06330   0.57260  -0.43750   1.00000   0.05300
O(10)   0.25000   0.71530   0.25640   1.00000   0.04400
O(11)   0.75000   0.58260  -0.26250   1.00000   0.03600
F   0.25000   0.47937  -0.31760   1.00000   0.02470
Cl   0.75000   0.66536   0.38550   0.95000   0.09900
F   0.75000   0.66536   0.38550   0.05000   0.09900