data_global
_chemical_name_mineral 'Ferrocarpholite'
loop_
_publ_author_name
'Ferraris G'
'Ivaldi G'
'Goffe B'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1992 
_journal_year 1992
_journal_page_first 337
_journal_page_last 347
_publ_section_title
;
 Structural study of a magnesian ferrocarpholite: Are carpholites monoclinic?
;
_database_code_amcsd 0014864
_chemical_compound_source 'Mascate nappes, Ruwi, Oman'
_chemical_formula_sum '(Fe.76 Mg.24) Al2 Si2 O10 H4'
_cell_length_a 13.797
_cell_length_b 20.20
_cell_length_c 5.116
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1425.826
_exptl_crystal_density_diffrn      3.004
_symmetry_space_group_name_H-M 'C c c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,1/2+y,1/2+z'
  '1/2-x,+y,1/2+z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  'x,1/2+y,-z'
  '1/2+x,+y,-z'
  '-x,1/2-y,z'
  '1/2-x,-y,z'
  '-x,-y,-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
Fe   0.00000   0.87434   0.75000   0.76000   0.00608
Mg   0.00000   0.87434   0.75000   0.24000   0.00608
Al1   0.19103   0.75000   0.75000   1.00000   0.00456
Al2   0.00000   0.96122   0.25000   1.00000   0.00507
Si   0.19373   0.87979   0.41767   1.00000   0.00431
O1   0.20558   0.79992   0.43190   1.00000   0.00646
O2   0.08135   0.89915   0.40390   1.00000   0.00697
O3   0.24702   0.91263   0.67400   1.00000   0.00747
O-h1   0.10016   0.80880   0.88240   1.00000   0.00988
O-h2   0.06806   0.96633   0.92810   1.00000   0.00684
H1  -0.09200   0.79300   0.47100   1.00000   0.03420
H2   0.11800   0.96700   0.89700   1.00000   0.02153
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
Fe 0.00590 0.00570 0.00660 0.00000 0.00100 0.00000
Mg 0.00590 0.00570 0.00660 0.00000 0.00100 0.00000
Al1 0.00470 0.00430 0.00470 0.00000 0.00000 0.00090
Al2 0.00570 0.00510 0.00460 0.00000 -0.00040 0.00000
Si 0.00430 0.00430 0.00420 0.00060 -0.00010 0.00060
O1 0.00750 0.00630 0.00550 0.00100 -0.00030 0.00100
O2 0.00670 0.00750 0.00690 0.00020 -0.00100 0.00110
O3 0.00880 0.00690 0.00670 0.00040 -0.00170 0.00020
O-h1 0.00970 0.01020 0.00990 0.00180 0.00010 -0.00020
O-h2 0.00550 0.00800 0.00680 0.00080 0.00150 -0.00020