data_global
_chemical_name_mineral 'Coalingite'
loop_
_publ_author_name
'Pastor-Rodriguez J'
'Taylor H F W'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 38 
_journal_year 1971
_journal_page_first 286
_journal_page_last 294
_publ_section_title
;
 Crystal structure of coalingite
 Note: occupancies altered to match formula
;
_database_code_amcsd 0014454
_chemical_compound_source 'New Idria serpentinite, Coalinga, California, USA'
_chemical_formula_sum 'Mg.87 Fe.11 Mn.02 O2.48 C.03 H2.66'
_cell_length_a 3.12
_cell_length_b 3.12
_cell_length_c 37.4
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 315.291
_exptl_crystal_density_diffrn      2.247
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
Mg   0.33333   0.66667   0.10470   0.87000 ?
Fe3+   0.33333   0.66667   0.10470   0.10000 ?
Mn   0.33333   0.66667   0.10470   0.02000 ?
Fe2+   0.33333   0.66667   0.10470   0.01000 ?
O-H1   0.00000   0.00000   0.07600   1.00000   0.07726
O-H2   0.66667   0.33333   0.13200   1.00000   0.03166
C   0.33333   0.66667   0.33333   0.03000 ?
Oc4   0.10500   0.21000   0.00000   0.03000   0.03800
Wat3   0.10500   0.21000   0.00000   0.09000   0.03800
O-H4   0.10500   0.21000   0.00000   0.04000   0.03800