#------------------------------------------------------------------------------
#$Date: 2023-03-26 10:09:57 +0200 (Sun 26 de Mar de 2023) $
#$Revision: 282068 $
#$URL: svn://www.crystallography.net/cod/cif/1/55/21/1552115.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_1552115
loop_
_publ_author_name
'Falini, G.'
'Foresti, E.'
'Gazzano, M.'
'Gualtieri, A.F.'
'Leoni, M.'
'Lesci, I.G.'
'Roveri, N.'
_publ_section_title
;
 Tubular-shaped stoichiometric chrysotile nanocrystals
;
_journal_name_full               'Chemistry - European Journal'
_journal_page_first              3043
_journal_page_last               3049
_journal_paper_doi               10.1002/chem.200305685
_journal_volume                  10
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H4 Mg3 O9 Si2'
_chemical_name_common            Mg3Si2O5(OH)4
_chemical_name_mineral           chrysotile
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.66(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.340(1)
_cell_length_b                   9.241(1)
_cell_length_c                   14.689(2)
_cell_volume                     723.38(19)
_database_code_amcsd             0019917
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    2.544
_cod_data_source_file            chrysotile-Falini.cif
_cod_data_source_block           chrysotile
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'Mg3 Si2 O9 H4'
_cod_database_code               1552115
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,z+1/2
3 x+1/2,y+1/2,z
4 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Mg1 1.0 0.8852(7) 0.1980(4) 0.2303(4) Uiso 0.007(6) Mg
Mg2 1.0 0.3747(7) 0.3771(7) 0.2327(5) Uiso 0.007(6) Mg
Mg3 1.0 0.8818(8) 0.5235(7) 0.2204(7) Uiso 0.007(6) Mg
Si1 1.0 0.0257(5) 0.3641(8) 0.0410(5) Uiso 0.018(8) Si
Si2 1.0 0.5208(5) 0.5335(9) 0.040(2) Uiso 0.018(8) Si
O1 1.0 0.0726(8) 0.1978(5) 0.0000(4) Uiso 0.013(9) O
O2 1.0 0.2387(9) 0.4750(9) 0.0023(4) Uiso 0.013(9) O
O3 1.0 0.7395(9) 0.4214(7) 0.0063(7) Uiso 0.013(9) O
O4 1.0 0.0438(8) 0.3596(7) 0.1560(9) Uiso 0.013(9) O
O5 1.0 0.5320(10) 0.5370(10) 0.1550(10) Uiso 0.013(9) O
OH1 1.0 0.7299(9) 0.363(2) 0.2878(7) Uiso 0.013(9) O
OH2 1.0 0.2395(7) 0.1970(10) 0.2791(9) Uiso 0.013(9) O
OH3 1.0 0.5334(8) 0.2053(9) 0.1807(8) Uiso 0.013(9) O
OH4 1.0 0.2025(9) 0.5416(9) 0.2960(10) Uiso 0.013(9) O
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019917
