Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

Search the American Mineralogist Crystal Structures
(example: hem*)
(example: O, Fe, Si)

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CIF Text:


data_global
_amcsd_formula_title 'Mn2GeO4-delta'
loop_
_publ_author_name
'Morimoto N'
'Tokonami M'
'Koto K'
'Nakajima S'
_journal_name_full 'American Mineralogist'
_journal_volume 57
_journal_year 1972
_journal_page_first 62
_journal_page_last 75
_publ_section_title
;
 Crystal structures of the high pressure polymorphs of Mn2GeO4
;
_database_code_amcsd 271
_chemical_formula_sum 'Mn2 Ge O4'
_cell_length_a 5.262
_cell_length_b 9.274
_cell_length_c 2.954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 144.155
_exptl_crystal_density_diffrn  5.679
_symmetry_space_group_name_H-M 'P b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn   0.0622  0.3222  0.5
Ge   0.0  0.0  0.0
O1   0.2295  0.0433  0.5
O2   0.3722  0.3141  0.0
loop_
_atom_site_aniso_label
_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
Mn   0.00673  0.01176  0.01768  -0.00025  0.0  0.0
Ge   0.00743  0.00741  0.01459  0.0  0.0  0.0
O1   0.01094  0.01133  0.01282  -0.0047  0.0  0.0
O2   0.00926  0.00741  0.01326  0.0  0.0  0.0