#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001239.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9001239
_chemical_name 'Cummingtonite'
loop_
_publ_author_name
'Ghose S'
'Yang H'
_journal_name_full "American Mineralogist"
_journal_volume 74
_journal_year 1989
_journal_page_first 1091
_journal_page_last 1096
_publ_section_title
;
 Mn-Mg distribution in a C2/m manganoan cummingtonite: Crystal-chemical
 considerations
;
_chemical_formula_sum 'Mn2.246 Mg4.514 Ca.24 Si8 O24 H2'
_cell_length_a 9.6045
_cell_length_b 18.1244
_cell_length_c 5.3251
_cell_angle_alpha 90
_cell_angle_beta 102.642
_cell_angle_gamma 90
_cell_volume 904.498
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+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_Uiso_or_equiv
Mn1   0.00000   0.08680   0.50000   0.15000 ?
Mg1   0.00000   0.08680   0.50000   0.85000 ?
Mn2   0.00000   0.17690   0.00000   0.10600 ?
Mg2   0.00000   0.17690   0.00000   0.89400 ?
Mn3   0.00000   0.00000   0.00000   0.06200 ?
Mg3   0.00000   0.00000   0.00000   0.93800 ?
Ca4   0.00000   0.26350   0.50000   0.12000 ?
Mn4   0.00000   0.26350   0.50000   0.83600 ?
Mg4   0.00000   0.26350   0.50000   0.04400 ?
Si1   0.29510   0.16990   0.78390   1.00000 ?
Si2   0.28680   0.08420   0.27760   1.00000 ?
O1   0.11430   0.08600   0.21220   1.00000 ?
O2   0.12140   0.17210   0.71790   1.00000 ?
O3   0.11350   0.00000   0.71220   1.00000 ?
O4   0.37450   0.24700   0.77590   1.00000 ?
O5   0.34920   0.12980   0.06550   1.00000 ?
O6   0.34940   0.12150   0.55750   1.00000 ?
O7   0.34440   0.00000   0.28030   1.00000 ?
H   0.19500   0.00000   0.78700   1.00000   0.00190