data_global
_chemical_name_mineral 'Carpholite'
loop_
_publ_author_name
'Ghose S'
'Sen Gupta P K'
'Boggs R C'
'Schlemper E O'
_journal_name_full 'American Mineralogist'
_journal_volume 74 
_journal_year 1989
_journal_page_first 1084
_journal_page_last 1090
_publ_section_title
;
 Crystal chemistry of a nonstoichiometric carpholite,
 Kx(Mn2-x,Lix)Al4Si4O12(OH)4F4: A chain silicate related to pyroxenes
;
_database_code_amcsd 0001265
_chemical_compound_source 'Sawtooth batholith, Idaho, USA'
_chemical_formula_sum 'K.65 Mn1.35 Li.672 Al4 Si4 O16 F4 H4'
_cell_length_a 13.715
_cell_length_b 20.302
_cell_length_c 5.138
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1430.635
_exptl_crystal_density_diffrn      3.067
_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   0.25000   0.75000   0.65000 ?
Mn   0.00000   0.37733   0.25000   0.67500 ?
Li   0.00090   0.37650   0.25800   0.16800   0.01900
Al1   0.19536   0.25000   0.25000   1.00000 ?
Al2   0.00000   0.46136   0.75000   1.00000 ?
Si   0.19323   0.37902   0.91370   1.00000 ?
O1   0.20710   0.29943   0.93120   1.00000 ?
O2   0.08050   0.39809   0.89970   1.00000 ?
O3   0.24560   0.41057   0.17230   1.00000 ?
O-h4   0.06890   0.46806   0.43230   1.00000 ?
F   0.10260   0.30594   0.36670   1.00000 ?
H   0.12500   0.46200   0.41540   1.00000   0.04500
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
K 0.01900 0.05460 0.01960 0.00000 0.00000 0.00000
Mn 0.00610 0.00730 0.00580 0.00000 0.00190 0.00000
Al1 0.00710 0.00680 0.00580 0.00000 0.00000 -0.00020
Al2 0.00680 0.00860 0.00670 0.00000 -0.00080 0.00000
Si 0.00610 0.00640 0.00560 0.00050 0.00000 0.00050
O1 0.00930 0.00710 0.00630 0.00200 0.00060 0.00060
O2 0.00620 0.01100 0.00950 0.00200 -0.00040 0.00110
O3 0.01120 0.00850 0.00610 0.00020 -0.00270 0.00010
O-h4 0.00600 0.01090 0.00890 0.00150 0.00080 0.00090
F 0.01470 0.01700 0.01560 0.00530 0.00190 0.00090