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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011146.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_1011146
_chemical_name_systematic
;
Dicalcium pentamagnesium dihydrogen octakis(catena-silicate)
;
_chemical_name_mineral             'Tremolite'
_chemical_compound_source          'from New York localities'
_chemical_formula_structural       'Ca2 Mg5 H2 (Si O3)8'
_chemical_formula_sum              'H2 Ca2 Mg5 O24 Si8'
_publ_section_title
;
The crystal structure and chemical composition of the monoclinic
amphiboles.
;
_publ_author_name                  'Warren, B E'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    72
_journal_year                      1930
_journal_page_first                493
_journal_page_last                 516
_cell_length_a                     9.78
_cell_length_b                     17.79999
_cell_length_c                     5.26
_cell_angle_alpha                  90
_cell_angle_beta                   73.97
_cell_angle_gamma                  90
_cell_volume                       880.1
_cell_formula_units_Z              2
_exptl_crystal_density_meas        3
_symmetry_space_group_name_H-M     'I 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '-x,-y,-z'
  'x,-y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  O2-   -2.000
  Ca2+   2.000
  Mg2+   2.000
  Si4+   4.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  O1    O2-    8 j 0.14 0.08 0.1 1.  0 d
  O2    O2-    4 i 0.14 0. -0.4 1.  1 d
  O3    O2-    8 j 0.14 0.18 -0.4 1.  0 d
  O4    O2-    8 j 0.14 0.25 0.1 1.  0 d
  O5    O2-    8 j 0.14 0.36 -0.25 1.  0 d
  O6    O2-    8 j 0.14 0.39 0.25 1.  0 d
  O7    O2-    4 i 0.14 0.5 -0.4 1.  0 d
  Ca1   Ca2+   4 h 0. 0.28 0.5 1.  0 d
  Mg1   Mg2+   4 h 0. 0.09 0.5 1.  0 d
  Mg2   Mg2+   4 g 0. 0.17 0. 1.  0 d
  Mg3   Mg2+   2 a 0. 0. 0. 1.  0 d
  Si1   Si4+   8 j 0.29 0.08 0.01 1.  0 d
  Si2   Si4+   8 j 0.29 0.18 -0.49 1.  0 d
  H1    H1+    4 i -1. -1. -1. 1.  0 dum