#(C) 2018 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_156199-ICSD
_database_code_ICSD 156199
_audit_creation_date 2007-08-01
_chemical_name_systematic
'Octamagnesium tetrahydroxotriacontaoxododecasilicate 11.82-hydrate'
_chemical_formula_structural 'Mg8 (Si12 O30 (O H)4) (H2 O)11.82'
_chemical_formula_sum 'H27.64 Mg8 O45.82 Si12'
_chemical_name_mineral Sepiolite
_exptl_crystal_density_diffrn 2.25
_publ_section_title

;
Synchrotron powder X-ray diffraction study of the structure and dehydration
behaviour of sepiolite
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'American Mineralogist' 2007 92 91 97 AMMIAY
loop_
_publ_author_name
'Post, J.E.'
'Bish, D.L.'
'Heaney, P.J.'
_cell_length_a 13.405(1)
_cell_length_b 27.016(1)
_cell_length_c 5.2750(1)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 1910.34
_cell_formula_units_Z 2
_symmetry_space_group_name_H-M 'P n c n'
_symmetry_Int_Tables_number 52
_refine_ls_R_factor_all 0.055
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x+1/2, y+1/2, z+1/2'
2 'x+1/2, y+1/2, -z'
3 'x, -y, z+1/2'
4 '-x, -y, -z'
5 'x+1/2, -y+1/2, -z+1/2'
6 '-x+1/2, -y+1/2, z'
7 '-x, y, -z+1/2'
8 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mg2+ 2
Si4+ 4
O2- -2
H1+ 1
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_B_iso_or_equiv
_atom_site_occupancy
_atom_site_attached_hydrogens
Mg1 Mg2+ 4 c 0 0.0297(7) 0.25 0.040(2) 1. 0
Mg2 Mg2+ 4 c 0 0.0850(7) 0.75 0.040(2) 1. 0
Mg3 Mg2+ 4 c 0 0.1434(5) 0.25 0.040(2) 1. 0
Mg4 Mg2+ 4 c 0 0.2049(4) 0.75 0.040(2) 1. 0
Si1 Si4+ 8 e 0.2026(6) 0.0282(4) 0.586(2) 0.040(1) 1. 0
Si2 Si4+ 8 e 0.1973(8) 0.1409(3) 0.576(2) 0.040(1) 1. 0
Si3 Si4+ 8 e 0.2042(7) 0.1949(2) 0.070(2) 0.040(1) 1. 0
O1 O2- 8 e 0.0824(7) 0.0276(7) 0.585(2) 0.035(1) 1. 0
O2 O2- 8 e 0.0805(9) 0.0854(6) 0.081(2) 0.035(1) 1. 0
O3 O2- 8 e 0.0762(8) 0.1431(5) 0.597(2) 0.035(1) 1. 0
O4 O2- 8 e 0.0847(8) 0.1971(6) 0.077(2) 0.035(1) 1. 0
O5 O2- 8 e 0.248(1) 0.0040(7) 0.324(2) 0.035(1) 1. 0
O6 O2- 8 e 0.2451(9) 0.0849(4) 0.579(3) 0.035(1) 1. 0
O7 O2- 8 e 0.243(1) 0.1708(7) 0.334(2) 0.035(1) 1. 0
O8 O2- 8 e 0.249(1) 0.1736(7) 0.802(2) 0.035(1) 1. 0
O9 O2- 4 d 0.25 0.25 0.089(6) 0.035(1) 1. 0
O10 O2- 8 e 0.088(1) 0.2596(5) 0.594(3) 0.035(1) 1. 0
O11 O2- 8 e 0.562(1) -0.090(1) -0.012(4) 0.1 0.91(2) 0
O12 O2- 4 c 0.5 0.180(1) 0.25 0.1 1.0(3) 0
O13 O2- 4 c 0.5 0.023(3) 0.25 0.1 0.43(3) 0
O14 O2- 8 e 0.439(3) 0.157(3) 0.74(2) 0.1 0.33(3) 0
#End of TTdata_156199-ICSD，

数据应该出自这篇文献 Synchrotron powder X-ray diffraction study of the structure and dehydration behaviour of sepiolite