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Item _space_group.IT_coordinate_system_code


Description

              A qualifier taken from the enumeration list identifying which
               setting in International Tables for Crystallography (3rd Edn)
               Vol. A (IT) is used.  See IT Table 4.3.1 Section 2.16,
               Table 2.16.1 Section 2.16.(i) and Fig. 2.6.4.  This item is
               not computer interpretable and cannot be used to define the
               coordinate system.  Use _space_group.transform_* instead.

Category

space_group

Mandatory Code

no

Data Type Code

char

Enumeration Values

Item Value Description
b1 monoclinic unique axis b, cell choice 1, abc
b2 monoclinic unique axis b, cell choice 2, abc
b3 monoclinic unique axis b, cell choice 3, abc
-b1 monoclinic unique axis b, cell choice 1, c-ba
-b2 monoclinic unique axis b, cell choice 2, c-ba
-b3 monoclinic unique axis b, cell choice 3, c-ba
c1 monoclinic unique axis c, cell choice 1, abc
c2 monoclinic unique axis c, cell choice 2, abc
c3 monoclinic unique axis c, cell choice 3, abc
-c1 monoclinic unique axis c, cell choice 1, ba-c
-c2 monoclinic unique axis c, cell choice 2, ba-c
-c3 monoclinic unique axis c, cell choice 3, ba-c
a1 monoclinic unique axis a, cell choice 1, abc
a2 monoclinic unique axis a, cell choice 2, abc
a3 monoclinic unique axis a, cell choice 3, abc
-a1 monoclinic unique axis a, cell choice 1, -acb
-a2 monoclinic unique axis a, cell choice 2, -acb
-a3 monoclinic unique axis a, cell choice 3, -acb
abc orthorhombic
ba-c orthorhombic
cab orthorhombic
-cba orthorhombic
bca orthorhombic
a-cb orthorhombic
1abc orthorhombic origin choice 1
1ba-c orthorhombic origin choice 1
1cab orthorhombic origin choice 1
1-cba orthorhombic origin choice 1
1bca orthorhombic origin choice 1
1a-cb orthorhombic origin choice 1
2abc orthorhombic origin choice 2
2ba-c orthorhombic origin choice 2
2cab orthorhombic origin choice 2
2-cba orthorhombic origin choice 2
2bca orthorhombic origin choice 2
2a-cb orthorhombic origin choice 2
1 tetragonal or cubic origin choice 1
2 tetragonal or cubic origin choice 2
h trigonal using hexagonal axes
r trigonal using rhombohedral axes

 

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