data_9001778
_publ_section_title
;
 Hydrogen positions and thermal expansion in lizardite-1T from Elba: A
 low-temperature study using Rietveld refinement of neutron diffraction data
 T = 8 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1111
_journal_page_last               1116
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'H6 Mg3 O9 Si2'
_chemical_name_mineral           Lizardite-1T
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.3267
_cell_length_b                   5.3267
_cell_length_c                   7.2539
_cell_volume                     178.246
_diffrn_ambient_temperature      8
_exptl_crystal_density_diffrn    2.600
_[local]_cod_chemical_formula_sum_orig 'Si2 Mg3 H6 O9'
_cod_database_code               9001778
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,-y,z
-y,x-y,z
y,x,z
-x+y,-x,z
-x,-x+y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si 0.33333 0.66667 0.07000 0.02000
Mg 0.32400 0.00000 0.44700 0.02000
H3 0.64600 0.00000 0.71500 0.07800
H4 0.04600 0.04600 0.17200 0.07800
O1 0.33333 0.66667 0.29200 0.00200
O2 0.50700 0.00000 -0.01400 0.08800
O3 0.66500 0.00000 0.58700 0.00200
O4 0.00000 0.00000 0.29100 0.00200
