###############################################################################
# Perdikatsis, B.;Burzlaff, H. (1981)
# Zeitschrift fuer Kristallographie (149,1979-) 156, 177-186
# Strukturverfeinerung am Talk Mg3 ((O H)2 Si4 O10)
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_100682-ICSD
_database_code_ICSD                100682
_audit_creation_date               1981-12-31
_chemical_name_systematic
'Trimagnesium dihydroxide phyllo-tetrasilicate'
_chemical_formula_structural       
'Mg3 (O H)2 (Si4 O10)'
_chemical_formula_sum              
'H2 Mg3 O12 Si4'
_publ_section_title                
'H2 Mg3 O12 Si4'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Zeitschrift fuer Kristallographie (149,1979-)' 1981 156 177 186 ZEKRDZ
loop_
_publ_author_name
Perdikatsis, B.;Burzlaff, H.
_cell_length_a                     5.290(3)
_cell_length_b                     9.173(5)
_cell_length_c                     9.460(5)
_cell_angle_alpha                  90.46(5)
_cell_angle_beta                   98.68(5)
_cell_angle_gamma                  90.09(5)
_cell_volume                       453.77
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'C -1'
_symmetry_Int_Tables_number        2
_refine_ls_R_factor_all            0.050000
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1 'x,y,z'
 2 '1/2+x,1/2+y,z'
 3 '-x,-y,-z'
 4 '1/2-x,1/2-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Si4+     4.
Mg2+     2.
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
Si1 Si4+ 4 i 0.24527(7) 0.50259(4) 0.29093(3) 0. 1.
Si2 Si4+ 4 i 0.24590(7) 0.83587(4) 0.29108(3) 0. 1.
Mg1 Mg2+ 2 a 0 0 0 0. 1.
Mg2 Mg2+ 4 i 0.50012(8) 0.83332(5) 0.99994(4) 0. 1.
O1 O2- 4 i 0.1991(2) 0.8344(1) 0.1176(1) 0. 1.
O2 O2- 4 i 0.6970(2) 0.6674(1) 0.1126(1) 0. 1.
O3 O2- 4 i 0.1980(2) 0.5012(1) 0.1176(1) 0. 1.
O4 O2- 4 i 0.0199(1) 0.9287(1) 0.3481(1) 0. 1.
O5 O2- 4 i 0.5202(2) 0.9109(1) 0.3481(1) 0. 1.
O6 O2- 4 i 0.2429(2) 0.6699(1) 0.3484(1) 0. 1.
H1 H1+ 4 i 0.719(4) 0.669(3) 0.203(2) 0.0076 1.
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si1 Si4+ 0.0087(2) 0.0074(2) 0.0095(2) 0.0002(1) 0.0014(1) 0.0000(2)
Si2 Si4+ 0.0086(2) 0.0074(2) 0.0097(2) 0.0003(1) 0.0019(1) -.0003(2)
Mg1 Mg2+ 0.0076(4) 0.0069(4) 0.0097(3) 0.0001(2) 0.0017(2) -.0001(2)
Mg2 Mg2+ 0.0078(2) 0.0069(4) 0.0101(2) 0.0000(2) 0.0015(2) -.0004(2)
O1 O2- 0.0100(4) 0.0094(5) 0.0106(4) 0.0000(3) 0.0017(3) -.0001(3)
O2 O2- 0.0121(5) 0.0102(5) 0.0110(4) 0.0005(3) 0.0017(3) -.0001(3)
O3 O2- 0.0103(4) 0.0094(5) 0.0097(4) 0.0000(3) 0.0012(3) 0.0000(3)
O4 O2- 0.0104(4) 0.0136(5) 0.0133(4) 0.0044(3) 0.0015(3) -.0010(3)
O5 O2- 0.0112(5) 0.0141(5) 0.0124(4) -.0032(3) 0.0022(3) 0.0000(3)
O6 O2- 0.0162(5) 0.0085(5) 0.0120(4) 0.0002(3) 0.0024(3) 0.0002(3)
H1 H1+      
#End of data_100682-ICSD
