data_1010935
_chemical_name_systematic          'Magnesium hydrogensilicate *'
_chemical_name_mineral             'Anthophyllite'
_chemical_compound_source          'from Edwards, New York'
_chemical_formula_structural       'Mg7 Si8 O22 (O H)2'
_chemical_formula_analytical
;
(Mg6.32 Mn.32 Ca.19 Na.10 Fe.04 K.03) (Si7.91 Al.09) O22 (O H)2
;
_chemical_formula_sum              'H2 Mg7 O24 Si8'
_publ_section_title
;
The structure of Anthophyllite H2 Mg7 (Si O3)8
;
loop_
_publ_author_name
  'Warren, B E'
  'Modell, D I'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    75
_journal_year                      1930
_journal_page_first                161
_journal_page_last                 179
_cell_length_a                     18.5
_cell_length_b                     17.89999
_cell_length_c                     5.27
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1745.2
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mg2+   2.000
  Si4+   4.000
  O2-   -2.000
  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
  Mg1   Mg2+   8 d 0.13 0.17 0.38 1.  0 d
  Mg2   Mg2+   8 d 0.13 0.08 -0.13 1.  0 d
  Mg3   Mg2+   8 d 0.13 -0.02 0.38 1.  0 d
  Mg4   Mg2+   4 c 0.13 0.25 -0.13 1.  0 d
  Si1   Si4+   8 d 0.03 -0.18 0.29 1.  0 d
  Si2   Si4+   8 d 0.03 -0.08 -0.21 1.  0 d
  Si3   Si4+   8 d 0.22 -0.08 0.04 1.  0 d
  Si4   Si4+   8 d 0.22 -0.18 -0.46 1.  0 d
  O1    O2-    8 d 0.06 0.07 0.2 1.  0 d
  O2    O2-    8 d 0.06 0.18 -0.3 1.  0 d
  O3    O2-    4 c 0.06 -0.25 0.2 1.  0 d
  O4    O2-    4 c 0.06 0.25 0.2 1.  1 d
  O5    O2-    8 d 0.06 0. -0.3 1.  0 d
  O6    O2-    8 d 0.05 -0.13 0.05 1.  0 d
  O7    O2-    8 d 0.05 -0.13 -0.46 1.  0 d
  O8    O2-    8 d 0.19 0.18 0.05 1.  0 d
  O9    O2-    8 d 0.19 0.07 -0.44 1.  0 d
  O10   O2-    8 d 0.19 0. 0.05 1.  0 d
  O11   O2-    4 c 0.19 -0.25 0.45 1.  0 d
  O12   O2-    4 c 0.19 0.25 -0.45 1.  1 d
  O13   O2-    8 d 0.2 -0.13 0.3 1.  0 d
  O14   O2-    8 d 0.2 -0.13 -0.2 1.  0 d
  H1    H1+    8 d -1. -1. -1. 1.  0 dum