data_global
_amcsd_formula_title 'Mg2V2O7'
loop_
_publ_author_name
'Gopal R'
'Calvo C'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 30 
_journal_year 1974
_journal_page_first 2491
_journal_page_last 2493
_publ_section_title
;
 Crystal structure of magnesium divanadate, Mg2V2O7
 Note: There is likely a minor typo in coordinates of O6 because
 bond lengths cannot be reproduced
;
_database_code_amcsd 0009520
_chemical_formula_sum 'Mg2 V2 O7'
_cell_length_a 13.767
_cell_length_b 5.414
_cell_length_c 4.912
_cell_angle_alpha 81.42
_cell_angle_beta 106.82
_cell_angle_gamma 130.33
_cell_volume 266.795
_exptl_crystal_density_diffrn      3.267
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1   0.08370   0.37670   0.50950
Mg2   0.41687   0.61870   0.42290
V1   0.63934  -0.07020   0.03708
V2   0.86140  -0.06320  -0.14070
O1   0.70750  -0.20360  -0.10550
O2   0.95230  -0.01240   0.20890
O3   0.76510   0.28930   0.18650
O4   0.93340   0.28960  -0.30440
O5   0.45880   0.03130   0.23520
O6   0.21230   0.37530   0.36360
O7   0.43860   0.32420   0.71090
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
Mg1 0.00880 0.00680 0.00630 0.00520 0.00060 0.00010
Mg2 0.00800 0.00730 0.00720 0.00500 0.00060 0.00080
V1 0.00720 0.00670 0.00410 0.00430 0.00030 0.00070
V2 0.00680 0.00620 0.00410 0.00360 -0.00030 0.00010
O1 0.01100 0.01560 0.01200 0.00850 0.00280 -0.00180
O2 0.01200 0.00820 0.00430 0.00600 -0.00110 -0.00010
O3 0.01350 0.01170 0.01150 0.00500 -0.00260 -0.00290
O4 0.01310 0.01060 0.01080 0.00880 0.00330 0.00330
O5 0.01170 0.00910 0.00610 0.00750 -0.00060 0.00040
O6 0.00690 0.00950 0.01070 0.00420 0.00300 -0.00140
O7 0.01250 0.01190 0.00800 0.00910 0.00400 0.00380