data_global
_chemical_name_mineral 'Tululite'
loop_
_publ_author_name
'Khoury H N'
'Sokol E V'
'Kokh S N'
'Seryotkin Y V'
'Nigmatulina E N'
'Goryainov S V'
'Belogub E V'
'Clark I D'
_journal_name_full 'Mineralogy and Petrology'
_journal_volume 110 
_journal_year 2016
_journal_page_first 125
_journal_page_last 140
_publ_section_title
;
 Tululite, Ca14(Fe3+,Al)(Al,Zn,Fe3+,Si,P,Mn,Mg)15O36: a new Ca zincate-aluminate
 from combustion metamorphic marbles, central Jordan
;
_database_code_amcsd 0021073
_chemical_compound_source 'Tulul Al Hammam, Jordan'
_chemical_formula_sum 'Ca13.432 Cd.568 Fe2.404 Al4.776 Si.96 P.4 Zn5.636 Mg.8 Mn1.04 O36'
_cell_length_a 14.9346
_cell_length_b 14.9346
_cell_length_c 14.9346
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3331.047
_exptl_crystal_density_diffrn      3.840
_symmetry_space_group_name_H-M 'F 2 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '-z,-x,y'
  '-z,1/2-x,1/2+y'
  '1/2-z,-x,1/2+y'
  '1/2-z,1/2-x,y'
  '-z,x,-y'
  '-z,1/2+x,1/2-y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2+x,-y'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '-y,-z,x'
  '-y,1/2-z,1/2+x'
  '1/2-y,-z,1/2+x'
  '1/2-y,1/2-z,x'
  '-y,z,-x'
  '-y,1/2+z,1/2-x'
  '1/2-y,z,1/2-x'
  '1/2-y,1/2+z,-x'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-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   0.61405   0.61405   0.61405   0.93900   0.01080
Cd1   0.61405   0.61405   0.61405   0.06100   0.01080
Ca2   0.38739   0.38739   0.38739   0.91900   0.00720
Cd2   0.38739   0.38739   0.38739   0.08100   0.00720
Ca3   0.21002   0.00000   0.00000   1.00000   0.01260
FeM1   0.50000   0.50000   0.50000   0.85600   0.00690
AlM1   0.50000   0.50000   0.50000   0.14400   0.00690
SiT1   0.00000   0.00000   0.00000   0.60000   0.01350
PT1   0.00000   0.00000   0.00000   0.40000   0.01350
ZnT2   0.17169   0.17169   0.17169   0.77000   0.01650
MgT2   0.17169   0.17169   0.17169   0.10000   0.01650
MnT2*   0.14510   0.14510   0.14510   0.13000   0.00800
ZnT3   0.82655   0.82655   0.82655   0.63900   0.00670
MgT3   0.82655   0.82655   0.82655   0.10000   0.00670
MnT3*   0.84250   0.84250   0.84250   0.13000   0.01800
AlT3*   0.84250   0.84250   0.84250   0.13500   0.01800
AlT4  -0.00100   0.25000   0.25000   0.68200   0.00840
FeT4  -0.00100   0.25000   0.25000   0.25800   0.00840
SiT4  -0.00100   0.25000   0.25000   0.06000   0.00840
O1   0.25000   0.25000   0.25000   1.00000   0.00700
O2   0.75000   0.75000   0.75000   1.00000   0.03400
O3   0.06240   0.06240   0.06240   1.00000   0.02260
O4   0.37090   0.00000   0.00000   1.00000   0.00910
O5   0.06630   0.35060   0.25410   1.00000   0.01380
O6   0.06640   0.24620   0.85080   1.00000   0.01480
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca1 0.01080 0.01080 0.01080 -0.00070 -0.00070 -0.00070
Cd1 0.01080 0.01080 0.01080 -0.00070 -0.00070 -0.00070
Ca2 0.00720 0.00720 0.00720 -0.00160 -0.00160 -0.00160
Cd2 0.00720 0.00720 0.00720 -0.00160 -0.00160 -0.00160
Ca3 0.01190 0.01360 0.01230 0.00000 0.00000 -0.00230
FeM1 0.00690 0.00690 0.00690 0.00000 0.00000 0.00000
AlM1 0.00690 0.00690 0.00690 0.00000 0.00000 0.00000
SiT1 0.01350 0.01350 0.01350 0.00000 0.00000 0.00000
PT1 0.01350 0.01350 0.01350 0.00000 0.00000 0.00000
ZnT2 0.01650 0.01650 0.01650 0.00050 0.00050 0.00050
MgT2 0.01650 0.01650 0.01650 0.00050 0.00050 0.00050
MnT2' 0.00800 0.00800 0.00800 0.00600 0.00600 0.00600
ZnT3 0.00670 0.00670 0.00670 0.00330 0.00330 0.00330
MgT3 0.00670 0.00670 0.00670 0.00330 0.00330 0.00330
MnT3' 0.01800 0.01800 0.01800 0.01700 0.01700 0.01700
AlT3' 0.01800 0.01800 0.01800 0.01700 0.01700 0.01700
AlT4 0.00820 0.00820 0.00890 0.00000 0.00000 0.00030
FeT4 0.00820 0.00820 0.00890 0.00000 0.00000 0.00030
SiT4 0.00820 0.00820 0.00890 0.00000 0.00000 0.00030
O1 0.00700 0.00700 0.00700 0.00000 0.00000 0.00000
O2 0.03400 0.03400 0.03400 0.00000 0.00000 0.00000
O3 0.02260 0.02260 0.02260 -0.00250 -0.00250 -0.00250
O5 0.01810 0.01160 0.01180 -0.00170 0.00490 0.00070
O6 0.01660 0.01390 0.01400 -0.00400 -0.00170 -0.00020