data_global
_chemical_name_mineral 'Magnesiocarpholite'
loop_
_publ_author_name
'Fuchs Y'
'Mellini M'
'Memmi I'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 13 
_journal_year 2001
_journal_page_first 533
_journal_page_last 543
_publ_section_title
;
 Crystal-chemistry of magnesiocarpholite: controversial X-ray
 diffraction, Mossbauer, FTIR and Raman results
;
_database_code_amcsd 0006870
_chemical_compound_source 'Monte Argentario'
_chemical_formula_sum 'K.004 (Mg1.3 Fe.7) Al3.94 Si4 O19.896 F.304 H7.896'
_cell_length_a 13.716
_cell_length_b 20.084
_cell_length_c 5.110
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1407.663
_exptl_crystal_density_diffrn      2.933
_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
K   0.00000   0.75000   0.25000   0.00400   0.01000
MgM1   0.00000   0.87500   0.75000   0.65000   0.00840
FeM1   0.00000   0.87500   0.75000   0.35000   0.00840
Al1   0.19088   0.75000   0.75000   0.98500   0.00600
Al2   0.00000   0.96131   0.25000   0.98500   0.00660
Si   0.19355   0.87981   0.41670   1.00000   0.00590
O1   0.20599   0.79991   0.43100   1.00000   0.00810
O2   0.08047   0.89933   0.40850   1.00000   0.00840
O3   0.24801   0.91275   0.67110   1.00000   0.00910
O-h1   0.09973   0.80978   0.87910   0.98700   0.01130
F1   0.09973   0.80978   0.87910   0.03800   0.01130
O-h2   0.06810   0.96589   0.92730   0.98700   0.00830
F2   0.06810   0.96589   0.92730   0.03800   0.00830
H1  -0.09300   0.80100   0.50600   0.98700   0.06100
H2   0.13400   0.96300   0.91600   0.98700   0.02400
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
MgM1 0.00680 0.00910 0.00940 0.00000 0.00140 0.00000
FeM1 0.00680 0.00910 0.00940 0.00000 0.00140 0.00000
Al1 0.00600 0.00610 0.00600 0.00000 0.00000 0.00040
Al2 0.00570 0.00750 0.00660 0.00000 0.00000 0.00000
Si 0.00510 0.00650 0.00620 0.00050 0.00000 0.00020
O1 0.00850 0.00700 0.00890 0.00050 0.00070 0.00010
O2 0.00700 0.00960 0.00870 0.00140 0.00020 0.00150
O3 0.00970 0.00960 0.00800 -0.00010 -0.00250 -0.00030
O-h1 0.01080 0.01260 0.01060 0.00310 0.00050 0.00030
F1 0.01080 0.01260 0.01060 0.00310 0.00050 0.00030
O-h2 0.00580 0.01030 0.00870 0.00060 0.00090 0.00080
F2 0.00580 0.01030 0.00870 0.00060 0.00090 0.00080